Day: February 22, 2023

(Hetero)arylazo-1,2,3-triazoles: “Clicked” Photoswitches for Versatile Functionalization and Electronic Decoupling was written by Fang, Dong;Zhang, Zhao-Yang;Shangguan, Zhichun;He, Yixin;Yu, Chunyang;Li, Tao. And the article was included in Journal of the American Chemical Society in 2021.Name: 4-(Methylthio)aniline This article mentions the following:

The development of light-responsive chem. systems often relies on the rational design and suitable incorporation of mol. photoswitches such as azobenzenes. Linking a photoswitch core with another π-conjugated mol. entity may give rise to intramol. electronic coupling, which can dramatically impair the photoswitch function. Decoupling strategies have been developed based on addnl. inserting a linker that can disrupt the through-bond electronic communication. Here, the authors show that 1,2,3-triazole – a commonly used decoupling spacer – can be directly merged into the azoswitch core to construct a class of “self-decoupling” azoswitches called (hetero)arylazo-1,2,3-triazoles. Such azotriazole photoswitches are easily accessed and modularly functionalized by click chem. Their photoswitch property can be optimized by rational design of the substituent groups or heteroaryl rings, allowing (near-) quant. E-Z photoisomerization yields and tunable Z-isomer thermal half-lives from days to years. Combined exptl. and theor. results demonstrate that the electronic structure of the photoswitch core is not substantially affected by various substituents attached to the 1,2,3-triazole unit, benefiting from its cross-conjugated nature. The combination of clickable synthesis, tunable photoswitch property, and self-decoupling ability makes (hetero)arylazo-1,2,3-triazoles intriguing mol. tools in developing photoresponsive systems with the desired performance. In the experiment, the researchers used many compounds, for example, 4-(Methylthio)aniline (cas: 104-96-1Name: 4-(Methylthio)aniline).

4-(Methylthio)aniline (cas: 104-96-1) belongs to thiazole derivatives. Thiazole rings are planar and aromatic. Thiazoles are characterized by larger pi-electron delocalization than the corresponding oxazoles and have therefore greater aromaticity. There are numerous natural products that possess a thiazole ring with broad pharmacological activities. Thiamine, also known as vitamin B1, possesses a thiazole ring linked with 2-methylpyrimidine-4-amine as hydrochloride salt.Name: 4-(Methylthio)aniline

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Impacts of nano-zero-valent iron on antibiotic removal by anaerobic membrane bioreactor for swine wastewater treatment was written by Liu, Wancen;Xia, Ruohan;Ding, Xiangrui;Cui, Wenjing;Li, Tianzhi;Li, Guoxue;Luo, Wenhai. And the article was included in Journal of Membrane Science in 2022.Related Products of 72-14-0 This article mentions the following:

This study investigated the impact of nano-zero-valent iron (nZVI) on the removal of veterinary antibiotics by an anaerobic membrane bioreactor (AnMBR) for swine wastewater treatment. Ten veterinary antibiotics belonged to three commonly used groups, namely tetracyclines, fluoroquinolones, and sulfonamides, were evaluated. Results show that nZVI addition could improve AnMBR performance for the removal of both phosphorus and ammonium. Moreover, nZVI addition to AnMBR could improve the biodegradation of antibiotics to enhance their overall removal. Of the three groups of antibiotics, the enhancement was most obvious for sulfonamides with an increase in the removal rate from 32 – 62% to 64-97% when 2.6 g L^-1 nZVI was added to AnMBR. Further microbial and redundancy analyses indicate that the removal of sulfonamides was closely and pos. correlated to the relative abundance of the genera Lentimicrobium and Methanomethylovorans. By contrast, nZVI reduced the removal of tetracycline, ciprofloxacin, and norfloxacin by AnMBR. Microbial anal. showed that nZVI dosage slightly reduced methane yield by promoting the growth of Mesotoga but reducing the proliferation of Methanomassiliicoccus to potentially disrupt the hydrogenotrophic pathway. In addition, adding nZVI reduced the ratios of protein to polysaccharide in both extracellular polymeric substances and soluble microbial products, thereby mitigating membrane fouling. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(thiazol-2-yl)benzenesulfonamide (cas: 72-14-0Related Products of 72-14-0).

4-Amino-N-(thiazol-2-yl)benzenesulfonamide (cas: 72-14-0) belongs to thiazole derivatives. The higher aromaticity of thiazole is due to delocalization of a lone pair of sulfur electrons across the ring, which is evidenced by chemical shifts of ring hydrogen at δ 7.27 and 8.77 ppm (C2 and C4), indicating diamagnetic ring current. Thiazole is a versatile building block for the construction and lead generation of new drug discoveries. Numerous diazole-based compounds are in clinical use as anticancer, antileukemic, antiinflammatory, antiviral, antifungal, antirheumatic, immunomodulator, and antiparasitic agents.Related Products of 72-14-0

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

The effect of electron-withdrawing substituents in asymmetric anthracene derivative semiconductors was written by Liu, Si;Zheng, Lei;Chen, Mingxi;Sun, Yajing;Wang, Peng;Li, Shuyu;Wu, Hongnan;Zhang, Xiaotao;Hu, Wenping. And the article was included in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 2021.Synthetic Route of C3H2BrNS This article mentions the following:

Three anthracene derivatives, referred to as 2-Ph anthracene (Ph-Ant), 2-thiazole anthracene (TZ-Ant), and 2-pentafluorophenyl anthracene (F5Ph-Ant), were designed and synthesized to reveal the effects of the electron-withdrawing substituents on the mol. packing structure and photoelec. properties of the anthracene core. As the electron-withdrawing abilities of the substituents increased, the mol. structures of the three semiconductors showed a progressive deterioration in intermol. interactions and mol. accumulation, and the photoelec. properties became worse. Interestingly, the energy levels of the three semiconductors showed gradually decreasing changes with an enhancement of the electron-withdrawing abilities of the substituents, indicating a possible strategy for fabricating n-type anthracene derivative semiconductor materials. In the experiment, the researchers used many compounds, for example, 2-Bromothiazole (cas: 3034-53-5Synthetic Route of C3H2BrNS).

2-Bromothiazole (cas: 3034-53-5) belongs to thiazole derivatives. Thiazole rings are planar and aromatic. Thiazoles are characterized by larger pi-electron delocalization than the corresponding oxazoles and have therefore greater aromaticity. Thiazole is a versatile building block for the construction and lead generation of new drug discoveries. Numerous diazole-based compounds are in clinical use as anticancer, antileukemic, antiinflammatory, antiviral, antifungal, antirheumatic, immunomodulator, and antiparasitic agents.Synthetic Route of C3H2BrNS

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Development of plate reader and on-line microfluidic screening to identify ligands of the 5-hydroxytryptamine binding protein in venoms was written by Otvos, Reka A.;Iyer, Janaki Krishnamoorthy;van Elk, Rene;Ulens, Chris;Niessen, Wilfried M. A.;Somsen, Govert W.;Manjunatha, Kini R.;Smit, August B.;Kool, Jeroen. And the article was included in Toxins in 2015.Product Details of 36085-73-1 This article mentions the following:

The 5-HT3 receptor is a ligand-gated ion channel, which is expressed in the nervous system. Its antagonists are used clin. for treatment of postoperative- and radiotherapy-induced emesis and irritable bowel syndrome. In order to better understand the structure and function of the 5-HT3 receptor, and to allow for compound screening at this receptor, recently a serotonin binding protein (5HTBP) was engineered with the Acetylcholine Binding Protein as template. In this study, a fluorescence enhancement assay for 5HTBP ligands was developed in plate-reader format and subsequently used in an online microfluidic format. Both assay types were validated using an existing radioligand binding assay. The online microfluidic assay was coupled to HPLC via a post-column split which allowed parallel coupling to a mass spectrometer to collect MS data. This high-resolution screening (HRS) system is well suitable for compound mixture anal. As a proof of principle, the venoms of Dendroapsis polylepis, Pseudonaja affinis and Pseudonaja inframacula snakes were screened and the accurate masses of the found bioactives were established. To demonstrate the subsequent workflow towards structural identification of bioactive proteins and peptides, the partial amino acid sequence of one of the bioactives from the Pseudonaja affinis venom was determined using a bottom-up proteomics approach. In the experiment, the researchers used many compounds, for example, 6-Allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine dihydrochloride (cas: 36085-73-1Product Details of 36085-73-1).

6-Allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine dihydrochloride (cas: 36085-73-1) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. Electrophilic attack at nitrogen depends on the presence of electron density at nitrogen as well as the position and nature of substituent linked to the thiazole ring.Product Details of 36085-73-1

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Tuberculostatics. I. 2,6-Substituted benzothiazoles was written by Ettel, Viktor;Semonsky, Miroslav;Kunak, Jiri;Cerny, Antonin. And the article was included in Chemicke Listy pro Vedu a Prumysl in 1952.Computed Properties of C9H7NO2S2 This article mentions the following:

2- and 2,6-Substituted benzothiazoles were prepared from 2-chloro-6-nitrobenzothiazole with alcoholates (method A), by the reduction of the corresponding nitro derivatives (B), from 2-chloro-6-nitrobenzothiazole with mercaptans (C), and from benzothiazolethiols with alkyl halides and halogenated acids (D). R¹, R², method, yields (%), and the m.ps. of the compounds of the general formulas I, II, and III are listed as follows: I: Bu, NO₂, A, 71, 58-9°; Bu, NH₂, B, 73, – [HCl salt, m. 265-8° (decomposition)]; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 59, 96-7°; Bu, NHCO(CH₂)₂CO₂H, B, 90, 164-5°; Bu, N:CHPh, B, 70, 77°; Bu, NHC(:NH)NH₂, B, 68, – (picrate, m. 208-9); iso-Am, NO₂, A, 75, 58-9°; cyclohexyl, NO₂, A, 95, 99.5-100.5°; cyclohexyl, NH₂, B, 75, – [HCl salt, m. 295° (decomposition); picrate, m. 221-4° (decomposition)]; cyclohexyl, NHCO(CH₂)₂CO₂H, B, 90, 160-1°; CH₂CO₂H, NO₂, 86, -(Na salt, m. 335-40°); II: Bu, NO₂, C, 97, 91.5-2.5°; Bu, H, C, 77, -, b₁₂ 167-8°, n_D²⁸ 1.6226; Bu, NO₂, C, 95, 63.5-4.5° (BuSO₂ analog, 68, 151°); Bu, NH₂, B, 70, – [HCl salt, m. 220° (decomposition); picrate, m. 136-8°]; Bu, NHCO(CH₂)₂CO₂H, B, 83, 161.5-2.5°; Bu, NHC₆H₁₁O₅ (D-galactoside), B, 71, 113-14°; Bu, NHC₆H₁₁O₄ (2-deoxy-D-glucoside), B, 87, 160-2°; Bu, N:CHPh, B, 90, 62.5-3°; Bu, N:CHCH:CHPh, B, 73, 79-9.5°; Bu, N:CHC:CH:CH:C(NO₂).O, B, 86, 158-9°; Bu, SO₃Me, B, 53, 70-1°; Bu, NHCH₂SO₃Na, B, 87, 225-8°; iso-Am, NO₂, C, 98, 56-6.5°; iso-Am, NH₂, B, 79, -(HCl salt, m. 195-6°); hexyl, NO₂, D, 86, 53-4°; hexyl, NH₂, B, 100, – [HCl salt, m. 205-10° (decomposition)]; PhCH₂, NO₂, C, 98, 116-17°; PhCH₂, NH₂, B, 100, – [HCl salt, m. 280-5° (decomposition)]; HOCH₂CH₂, NO₂, D, 98, 113-14°; HOCH₂CH₂, NH₂, B, -, – [HCl salt, m. 245-50° (decomposition)]; HO₂CCH₂, H, D, 96, 153-4°; HO₂CCH₂, NO₂, D, 88, 213-14°; HO₂CCH₂CH₂, NO₂, D, 95, 169-71°; HO₂CCH₂CH₂, NH₂, B, 42, 153-4°; HO₂C(CH₂)₅, H, D, 90, 71-2°; HO₂C(CH₂)₅, NO₂, D, 97, 130-1°; HO₂C(CH₂)₅, NH₂, B, 85, 137-8°; HO₂C(CH₂)₅SO₂ analog, NO₂, -, 81, 178-9° (from AcOH); HO₂C(CH₂)₅, SO₃H analog, -, 84, 271-2° (from aqueous HCl); 1-carboxyheptadecyl, NO₂, D, 98, 76-8°; EtO₂CCH:CHCH₂, NO₂, D, 65, 112.5-13.5°. Unless otherwise stated, the following III were crystallized from MeOH or EtOH (concentrated or diluted) (by other methods): p-AcNHC₆H₄SO₂,H, 77, 244-5°; p-O₂NC₆H₄S, NO₂, 90, 176-7° (from EtOH-Me₂CO); p-O₂NC₆H₄SO, NO₂, 90, 231-2° (from PhCl); p-O₂NC₆H₄SO₂, NO₂, 90, 262-4° (PhCl); p-H₂NC₆H₄S, NH₂, 56 [HCl salt, m. 261-3° (decomposition) (from dilute EtOH)]. Some of the compounds were highly tuberculostatic against Mycobacterium tuberculosis in vitro; their effect in vivo was insignificant. In the experiment, the researchers used many compounds, for example, 2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4Computed Properties of C9H7NO2S2).

2-(Benzo[d]thiazol-2-ylthio)acetic acid (cas: 6295-57-4) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. There are numerous natural products that possess a thiazole ring with broad pharmacological activities. Thiamine, also known as vitamin B1, possesses a thiazole ring linked with 2-methylpyrimidine-4-amine as hydrochloride salt.Computed Properties of C9H7NO2S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Functional analysis of four naturally occurring variants of human constitutive androstane receptor was written by Ikeda, Shinobu;Kurose, Kouichi;Jinno, Hideto;Sai, Kimie;Ozawa, Shogo;Hasegawa, Ryuichi;Komamura, Kazuo;Kotake, Takeshi;Morishita, Hideki;Kamakura, Shiro;Kitakaze, Masafumi;Tomoike, Hitonobu;Tamura, Tomohide;Yamamoto, Noboru;Kunitoh, Hideo;Yamada, Yasuhide;Ohe, Yuichiro;Shimada, Yasuhiro;Shirao, Kuniaki;Kubota, Kaoru;Minami, Hironobu;Ohtsu, Atsushi;Yoshida, Teruhiko;Saijo, Nagahiro;Saito, Yoshiro;Sawada, Jun-ichi. And the article was included in Molecular Genetics and Metabolism in 2005.Computed Properties of C19H12Cl3N3OS This article mentions the following:

The human constitutive androstane receptor (CAR, NR1I3) is a member of the orphan nuclear receptor superfamily that plays an important role in the control of drug metabolism and disposition. In this study, we sequenced all the coding exons of the NR1I3 gene for 334 Japanese subjects. We identified three novel single nucleotide polymorphisms (SNPs) that induce non-synonymous alterations of amino acids (His246Arg, Leu308Pro, and Asn323Ser) residing in the ligand-binding domain of CAR, in addition to the Val133Gly variant, which was another CAR variant identified in our previous study. We performed functional anal. of these four naturally occurring CAR variants in COS-7 cells using a CYP3A4 promoter/enhancer reporter gene that includes the CAR responsive elements. The His246Arg variant caused marked reductions in both transactivation of the reporter gene and in the response to 6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl)oxime (CITCO), which is a human CAR-specific agonist. The transactivation ability of the Leu308Pro variant was also significantly decreased, but its responsiveness to CITCO was not abrogated. The transactivation ability and CITCO response of the Val133Gly and Asn323Ser variants did not change as compared to the wild-type CAR. These data suggest that the His246Arg and Leu308Pro variants, especially His246Arg, may influence the expression of drug-metabolizing enzymes and transporters that are transactivated by CAR. In the experiment, the researchers used many compounds, for example, 6-(4-Chlorophenyl)imidazo[2,1-b]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl) oxime (cas: 338404-52-7Computed Properties of C19H12Cl3N3OS).

6-(4-Chlorophenyl)imidazo[2,1-b]thiazole-5-carbaldehyde O-(3,4-dichlorobenzyl) oxime (cas: 338404-52-7) belongs to thiazole derivatives. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 °C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Computed Properties of C19H12Cl3N3OS

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Characterization of key odor-active compounds in thermal reaction beef flavoring by SGCxGC-O-MS, AEDA, DHDA, OAV and quantitative measurements was written by Wang, Haili;Yang, Ping;Liu, Chen;Song, Huanlu;Pan, Wenqing;Gong, Lin. And the article was included in Journal of Food Composition and Analysis in 2022.Safety of 1-(2,4-Dimethylthiazol-5-yl)ethanone This article mentions the following:

Thermal reaction beef flavoring is a kind of food additive. In this study, three extraction methods of dynamic headspace sampling (DHS), solid phase micro-extraction (SPME) and liquid-liquid extraction (LLE) combined with switchable two-dimensional gas chromatog.-olfactometry-mass spectrometry (SGCxGC-O-MS) were employed to characterize volatile compounds in thermal reaction beef flavoring. The odor characteristics of thermal reaction beef flavors were identified by sensory evaluation, aroma extraction dilution anal. (AEDA), dynamic headspace dilution anal. (DHDA), odor activity value (OAV) and quant. measurements. A total of 231 volatile odor compounds were identified by the three extraction methods, which including 15 aldehydes, 41 ketones, 29 alcs., 27 esters, 13 furans, 20 pyrazines, 9 sulfur-containing compounds, 18 thiophenes and thiazoles, 19 acids and 40 other compounds Ninety-eight compounds had odor activity, and 22 odor-active compounds were quant. analyzed. 2-Methyl-3-furanthiol (meaty) and bis(2-methyl-3-furanyl) disulfide (onion) had the higher FD and OAV, 3-methylbutanal (chocolate) was first identified as the key odor-active compound in thermal reaction beef flavoring, Me furfuryl disulfide (meaty), 2-ethyl-3,5-dimethylpyrazine (roasted nuts), 2,3-butanedione (caramel), linalool (floral), furfural (baked bread), 2-furfurylthiol (sulfury) and other compounds were also identified as the key aroma components in thermal reaction beef flavoring. The results showed that SPME and DHS were more suitable than LLE for the separation and extraction of volatile odor compounds in thermal reaction beef flavoring, and there were some masking and synergistic effects between odor-active compounds In the experiment, the researchers used many compounds, for example, 1-(2,4-Dimethylthiazol-5-yl)ethanone (cas: 38205-60-6Safety of 1-(2,4-Dimethylthiazol-5-yl)ethanone).

1-(2,4-Dimethylthiazol-5-yl)ethanone (cas: 38205-60-6) belongs to thiazole derivatives. The thiazole ring has been identified as a central feature of numerous natural products, perhaps the most famous example of which is epothilone. The nitrogen in thiazole is sp2 hybridized and the lone pair of electrons localized on the nitrogen is less reactive due to increased aromatic character and decreased basicity. It is protonated and alkylated/acylated at nitrogen forming hydrochloride and quaternary thiazolium salt.Safety of 1-(2,4-Dimethylthiazol-5-yl)ethanone

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Molecular characterization of blaNDM-carrying IncX3 plasmids: blaNDM-16b likely emerged from a mutation of blaNDM-5 on IncX3 plasmid was written by Ariyoshi, Tsukasa;Aoki, Kotaro;Kubota, Hiroaki;Sadamasu, Kenji;Ishii, Yoshikazu;Tateda, Kazuhiro. And the article was included in Microbiology Spectrum in 2022.Formula: C13H17N5O8S2 This article mentions the following:

Dissemination of blaNDM, which is carried on the IncX3 plasmid, among Enterobacterales has been reported worldwide. In particular, blaNDM-5-carrying IncX3 plasmids can spread among several hosts, facilitating their dissemination. Other variants, such as blaNDM-17-, blaNDM-19-, blaNDM-20-, blaNDM-21-, and blaNDM-33-carrying IncX3 plasmids, have also been reported. Here, we characterized, using whole-genome sequencing (WGS), a blaNDM-16b-carrying IncX3 plasmid harbored by Escherichia coli strain TA8571, which was isolated from a urine specimen of a hospital inpatient in Tokyo, Japan. The blaNDM-16b differed in sequence from blaNDM-5 (C > T at site 698, resulting in an Ala233Val substitution). This blaNDM-16b-carrying IncX3 plasmid (pTMTA8571-1) is 46,161 bp in length and transferred via conjugation. Transconjugants showed high resistance to β-lactam antimicrobials (except for aztreonam). Because pTMTA8571-1, which carries the Tn125-related region containing blaNDM and conjugative transfer genes, was similar to the previously reported IncX3 plasmids, we performed phylogenetic anal. based on the sequence of 34 shared genes in 142 blaNDM-carrying IncX3 plasmids (22,846/46,923 bp). Comparative anal. of the shared genes revealed short branches on the phylogenetic tree (average of 1.08 nucleotide substitutions per shared genes), but each blaNDM variant was divided into sep. groups, and the structure of the tree correlated with the flowchart of blaNDM nucleotide substitutions. The blaNDM-carrying IncX3 plasmids may thereby have evolved from the same ancestral plasmid with subsequent mutation of the blaNDM. Therefore, pTMTA8571-1 likely emerged from a blaNDM-5-carrying IncX3 plasmid. This study suggested that the spread of blaNDM-carrying IncX3 plasmids may be a hotbed for the emergence of novel variants of blaNDM. In the experiment, the researchers used many compounds, for example, 2-((((Z)-1-(2-Aminothiazol-4-yl)-2-(((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)-2-methylpropanoic acid (cas: 78110-38-0Formula: C13H17N5O8S2).

2-((((Z)-1-(2-Aminothiazol-4-yl)-2-(((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)-2-methylpropanoic acid (cas: 78110-38-0) belongs to thiazole derivatives. Thiazoles in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications. Thiazole sulfonation occurs only under forcing conditions: the action of oleum at 250 °C for 3 hours in the presence of mercury(II) sulfate leads to 65% formation of 5-thiazole sulfonic acid.Formula: C13H17N5O8S2

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Hydroxybiphenylamide GroEL/ES inhibitors are potent antibacterials against planktonic and biofilm forms of Staphylococcus aureus was written by Kunkle, Trent;Abdeen, Sanofar;Salim, Nilshad;Ray, Anne-Marie;Stevens, Mckayla;Ambrose, Andrew J.;Victorino, Jose;Park, Yangshin;Hoang, Quyen Q.;Chapman, Eli;Johnson, Steven M.. And the article was included in Journal of Medicinal Chemistry in 2018.Computed Properties of C7H4ClNS This article mentions the following:

We recently reported the identification of a GroEL/ES inhibitor (1, N-(4-(benzo[d]thiazol-2-ylthio)-3-chlorophenyl)-3,5-dibromo-2-hydroxybenzamide) that exhibited in vitro antibacterial effects against Staphylococcus aureus comparable to vancomycin, an antibiotic of last resort. To follow up, we have synthesized 43 compound 1 analogs to determine the most effective functional groups of the scaffold for inhibiting GroEL/ES and killing bacteria. Our results identified that the benzothiazole and hydroxyl groups are important for inhibiting GroEL/ES-mediated folding functions, with the hydroxyl essential for antibacterial effects. Several analogs exhibited >50-fold selectivity indexes between antibacterial efficacy and cytotoxicity to human liver and kidney cells in cell culture. We found that MRSA was not able to easily generate acute resistance to lead inhibitors in a gain-of-resistance assay and that lead inhibitors were able to permeate through established S. aureus biofilms and maintain their bactericidal effects. In the experiment, the researchers used many compounds, for example, 2-Chlorobenzothiazole (cas: 615-20-3Computed Properties of C7H4ClNS).

2-Chlorobenzothiazole (cas: 615-20-3) belongs to thiazole derivatives. Thiazoles in peptides or their ability to bind proteins, DNA and RNA has led to many synthetic studies and new applications. There are numerous natural products that possess a thiazole ring with broad pharmacological activities. Thiamine, also known as vitamin B1, possesses a thiazole ring linked with 2-methylpyrimidine-4-amine as hydrochloride salt.Computed Properties of C7H4ClNS

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Thin-layer and gas chromatography of thiazole and benzothiazole heterocycles was written by Vernin, Gaston;Metzger, Jacques. And the article was included in Bulletin de la Societe Chimique de France in 1967.Product Details of 5351-51-9 This article mentions the following:

Compounds of the general formula I, II, and III were prepared according to known methods and the effect of different factors on their mobility was studied. The following were prepared (I, R, R1, R2, and b.p. given): H, H, H, 117-18°; Me, H, H, 128-30°; Et, H, H, 148°; H, Me, Me, 133°; H, Et, H, 145°; H, iso-Pr, H, 171°; H, H, Me, 141°; H, H, Et, 162°; Me, Me, H, 145°; Me, H, Me, 149°; H, Me, Me, 158°; iso-Pr, H, H, 160°; Pr, H, H, 175°; iso-Bu, H, H, 172°; tert-Bu, H, H, 180°; neopentyl, H, H, 198°; Cl, H, H, 142°; Br, H, H, b20 69-71°; iso-Pr, Me, H, b50 92°; tert-Bu, Me, H, b50 96°; Me, tert-Bu, H, b50 96°; Et, tert-Bu, H, b50 108°; iso-Pr, tert-Bu, H, b50 113°; tert-Bu, tert-Bu, H, b50 114°; MeS, H, H, -; EtS, H, H, -; PrS, H, H, -; iso-PrS, H, H, -; tert-BuS, H, H, -; iso-Bu, H, H, -; PhCH2S, H, H, -; SH, H, H, -; SH, Me, H, -; SH, H, Me, -; MeS, H, H, -, SH, Me, Me, -; MeS, Me, H, -; MeS, Me, Me, -; SH, Ph, H, -; (II, R, R1, and R2 given): H, H, H; H, Me, H; H, H, Me; Me, H, H; H, Me, Me; Me, Me, H; Me, Me, Me; H, Ph, H; and (III, R and b.p. given): H, 231°; Me, 240°; Et, 252°; Pr, 256°; iso-Pr, 261°; iso-Bu, 269°; tert-Bu, b16 138°; neopentyl, -, m. 52°. Thin-layer chromatog. gives a better separation than gas phase chromatog. for the 2-Me, 2-Ph, 4-Me, 4-Ph, and 2,4-di-Me compounds The mobility of methylthiazoles decreases in the following manner: 4-Me > 5-Me > 2-Me; polar effects are similar for the groups: Et, iso-Pr, and tert-Bu. Steric effects become important for the groups iso-Pr and tert-Bu. In the experiment, the researchers used many compounds, for example, 4,5-Dimethylthiazole-2(3H)-thione (cas: 5351-51-9Product Details of 5351-51-9).

4,5-Dimethylthiazole-2(3H)-thione (cas: 5351-51-9) belongs to thiazole derivatives. The thiazole ring is notable as a component of the vitamin thiamine (B1). The nitrogen in thiazole is sp2 hybridized and the lone pair of electrons localized on the nitrogen is less reactive due to increased aromatic character and decreased basicity. It is protonated and alkylated/acylated at nitrogen forming hydrochloride and quaternary thiazolium salt.Product Details of 5351-51-9

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica