Day: February 22, 2023

A novel GSK-3 inhibitor binds to GSK-3尾 via a reversible, time and Cys-199-dependent mechanism was written by Ghazanfari, Davoud;Noori, Mahboubeh S.;Bergmeier, Stephen C.;Hines, Jennifer V.;McCall, Kelly D.;Goetz, Douglas J.. And the article was included in Bioorganic & Medicinal Chemistry in 2021.SDS of cas: 487021-52-3 This article mentions the following:

Glycogen synthase kinase-3 (GSK-3) has been implicated in numerous pathologies making GSK-3 an attractive therapeutic target. Our group has identified a compound termed COB-187 that is a potent and selective inhibitor of GSK-3. In this study, we probed the mechanism by which COB-187 inhibits GSK-3尾. Progress curves, generated via real-time monitoring of kinase activity, indicated that COB-187 inhibition of GSK-3尾 is time-dependent and subsequent jump dilution assays revealed that COB-187 binding to GSK-3尾 is reversible. Further, a plot of the kinetic constant (kobs) vs. COB-187 concentration suggested that, within the range of concentrations studied, COB-187 binds to GSK-3尾 via an induced-fit mechanism. There is a critical cysteine residue at the entry to the active site of GSK-3尾 (Cys-199). We generated a mutant version of GSK-3尾 wherein Cys-199 was substituted with an alanine. This mutation caused a dramatic decrease in the activity of COB-187; specifically, an IC50 in the nM range for wild type vs. >100渭M for the mutant. A screen of COB-187 against 34 kinases that contain a conserved cysteine in their active site revealed that COB-187 is highly selective for GSK-3 indicating that COB-187s inhibition of GSK-3尾 via Cys-199 is specific. Combined, these findings suggest that COB-187 inhibits GSK-3尾 via a specific, reversible, time and Cys-199-dependent mechanism. In the experiment, the researchers used many compounds, for example, 1-(4-Methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea (cas: 487021-52-3SDS of cas: 487021-52-3).

1-(4-Methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea (cas: 487021-52-3) 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 未 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.SDS of cas: 487021-52-3

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

Synthesis and broad-spectrum antiviral activity of some novel benzo-heterocyclic amine compounds was written by Zhang, Da-Jun;Sun, Wen-Fang;Zhong, Zhao-Jin;Gao, Rong-Mei;Yi, Hong;Li, Yu-Huan;Peng, Zong-Gen;Li, Zhuo-Rong. And the article was included in Molecules in 2014.Recommanded Product: 2942-06-5 This article mentions the following:

A series of novel unsaturated five-membered benzo-heterocyclic amine derivatives I [X = NH, O, S; Y = CH, N; R = 4-chlorobenzyl, 3-phenylallyl, 5-methylthiophene, etc.]. were synthesized and assayed to determine their in vitro broad-spectrum antiviral activities. The biol. results showed that most of the synthesized compounds exhibited potent broad-spectrum antiviral activity. Notably, compounds I [X = S; Y = N; R = (2-methoxy-phenyl)amine] (IC₅₀ = 3.21-5.06 渭M) and I [X = S; Y = N; R = 5-methylfuran] (IC₅₀ = 0.71-34.87 渭M) showed potent activity towards both RNA viruses (influenza A, HCV and Cox B3 virus) and a DNA virus (HBV) at low micromolar concentrations The SAR study showed that electron-withdrawing substituents located on the aromatic or heteroaromatic ring favored antiviral activity towards RNA viruses. In the experiment, the researchers used many compounds, for example, 6-Nitrobenzothiazole (cas: 2942-06-5Recommanded Product: 2942-06-5).

6-Nitrobenzothiazole (cas: 2942-06-5) 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.Recommanded Product: 2942-06-5

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

Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens was written by Velikova, Nadya;Fulle, Simone;Manso, Ana Sousa;Mechkarska, Milena;Finn, Paul;Conlon, J. Michael;Oggioni, Marco Rinaldo;Wells, Jerry M.;Marina, Alberto. And the article was included in Scientific Reports in 2016.Formula: C9H7ClN2S This article mentions the following:

Novel antibacterials are urgently needed to address the growing problem of bacterial resistance to conventional antibiotics. Two-component systems (TCS) are widely used by bacteria to regulate gene expression in response to various environmental stimuli and physiol. stress and have been previously proposed as promising antibacterial targets. TCS consist of a sensor histidine kinase (HK) and an effector response regulator. The HK component contains a highly conserved ATP-binding site that is considered to be a promising target for broad-spectrum antibacterial drugs. Here, we describe the identification of putative HK autophosphorylation inhibitors following two independent exptl. approaches: in vitro fragment-based screen via differential scanning fluorometry and in silico structure-based screening, each followed up by the exploration of analog compounds as identified by ligand-based similarity searches. Nine of the tested compounds showed antibacterial effect against multi-drug resistant clin. isolates of bacterial pathogens and include three novel scaffolds, which have not been explored so far in other antibacterial compounds Overall, putative HK autophosphorylation inhibitors were found that together provide a promising starting point for further optimization as antibacterials. In the experiment, the researchers used many compounds, for example, 4-(2-Chlorophenyl)thiazol-2-amine (cas: 21344-90-1Formula: C9H7ClN2S).

4-(2-Chlorophenyl)thiazol-2-amine (cas: 21344-90-1) belongs to thiazole derivatives. Thiazoles frequently appear in peptide studies. Thiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis. Various laboratory methods exist for the organic synthesis of thiazoles. Prominent is the Hantzsch thiazole synthesis is a reaction between haloketones and thioamides.Formula: C9H7ClN2S

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

Cesium carbonate-promoted synthesis of aryl methyl sulfides using S-methylisothiourea sulfate under transition-metal-free conditions was written by Zhang, Caiyang;Zhou, You;Huang, Jintao;Tu, Canhui;Zhou, Xiaoai;Yin, Guodong. And the article was included in Organic & Biomolecular Chemistry in 2018.HPLC of Formula: 3034-53-5 This article mentions the following:

In the presence of cesium carbonate, an efficient synthesis of aryl Me sulfides by the reactions of aryl halides with com. available S-methylisothiourea sulfate was developed. This odourless and highly crystalline solid was used as the substitute for malodorous methanethiol. The gram-scale reaction also proceeded smoothly without the use of column chromatog. separation Similarly, 2-(dimethylamino)ethylthio and cyclopropylmethylthio groups were easily introduced into the aromatic rings from the corresponding S-[2-(dimethylamino)ethyl]isothiourea dihydrochloride and S-cyclopropylmethylisothiourea hydrobromide. The possible reaction mechanism was proposed. It was believed that this route to aryl alkyl sulfides were well competitive with currently known methods due to its wide substrate scope, excellent yields, easy operation and transition-metal-free conditions. In the experiment, the researchers used many compounds, for example, 2-Bromothiazole (cas: 3034-53-5HPLC of Formula: 3034-53-5).

2-Bromothiazole (cas: 3034-53-5) belongs to thiazole derivatives. The thiazole ring is notable as a component of the vitamin thiamine (B1). Various laboratory methods exist for the organic synthesis of thiazoles. Prominent is the Hantzsch thiazole synthesis is a reaction between haloketones and thioamides.HPLC of Formula: 3034-53-5

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

DNA – binding and cleavage studies of macrocyclic metal complexes containing heteroatomic ligands was written by Mathur, Neha;Bargotya, Sonlata. And the article was included in Chemical Science Transactions in 2016.Formula: C7H5BrN2S This article mentions the following:

Designing of improved metal complexes, irreversibly modifying the nucleic acids is important from chem. and biol. point of view. In this regard copper nucleases are of great significance, since they form an important class of artificial nucleases possessing biol. accessible redox potentials and high cleavage affinity. Therefore, they are potential reagents for cleavage of DNA. For the same, coordination compounds using Cu(II) surfactant with N and S donor ligands in a M:L (1:2) molar ratio, complexes Cu₂(C₁₅H₃₁COO)₄L₂ and Cu₂(C₇H₁₅COO)₄L₂ where L is 2-amino-6-bromobenzothiazole, were synthesized and fully characterized by elemental and spectral anal., ¹H NMR, FTIR, ESR and mass spectra. The interaction of the complexes with Lactobacillus acidophilus DNA was studied using agarose gel electrophoresis measurements and visualization of cleavage pattern was done on a UV transilluminator. Results suggest the Cu(II) complexes bind to DNA via different modes. Gel electrophoresis study reveals the fact that the Cu complexes involving N and S donor moieties cleave super-coiled DNA to nicked linear forms. In the experiment, the researchers used many compounds, for example, 2-Amino-6-bromobenzothiazole (cas: 15864-32-1Formula: C7H5BrN2S).

2-Amino-6-bromobenzothiazole (cas: 15864-32-1) 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. 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.Formula: C7H5BrN2S

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

Facile Synthesis of Amides through Transamidation with Iodine under Neat Conditions was written by Girase, Pankaj S.;Kumar, Vishal;Dhawan, Sanjeev;Karpoormath, Rajshekhar. And the article was included in ChemistrySelect in 2022.Application of 104-96-1 This article mentions the following:

Iodine and NH₂OH.HCl mediated transamidation of unactivated amides with a variety of amines under thermal/microwave irradiations was reported. The current strategy was effective for a wide variety of primary, secondary and tertiary amides and allows formylation, acylation and benzoylation of various amines. The primary advantages of the current protocol were simple, rapid, absence of metal catalyst, low-cost starting material as a solvent, and low environmental impact during the synthesis process. In the experiment, the researchers used many compounds, for example, 4-(Methylthio)aniline (cas: 104-96-1Application of 104-96-1).

4-(Methylthio)aniline (cas: 104-96-1) belongs to thiazole derivatives. The thiazole ring is notable as a component of the vitamin thiamine (B1). The pyridine-type nitrogen in the thiazole ring deactivates the ring for electrophilic substitution reactions, which is further reduced in acid due to protonation of the thiazole ring.Application of 104-96-1

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

Predicting reaction conditions from limited data through active transfer learning was written by Shim, Eunjae;Kammeraad, Joshua A.;Xu, Ziping;Tewari, Ambuj;Cernak, Tim;Zimmerman, Paul M.. And the article was included in Chemical Science in 2022.Safety of 2-Bromothiazole This article mentions the following:

Transfer and active learning have the potential to accelerate the development of new chem. reactions, using prior data and new experiments to inform models that adapt to the target area of interest. This article shows how specifically tuned machine learning models, based on random forest classifiers, can expand the applicability of Pd-catalyzed cross-coupling reactions to types of nucleophiles unknown to the model. First, model transfer is shown to be effective when reaction mechanisms and substrates are closely related, even when models are trained on relatively small numbers of data points. Then, a model simplification scheme is tested and found to provide comparative predictivity on reactions of new nucleophiles that include unseen reagent combinations. Lastly, for a challenging target where model transfer only provides a modest benefit over random selection, an active transfer learning strategy is introduced to improve model predictions. Simple models, composed of a small number of decision trees with limited depths, are crucial for securing generalizability, interpretability, and performance of active transfer learning. In the experiment, the researchers used many compounds, for example, 2-Bromothiazole (cas: 3034-53-5Safety of 2-Bromothiazole).

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.Various laboratory methods exist for the organic synthesis of thiazoles. For example, 2,4-dimethylthiazole is synthesized from thioacetamide and chloroacetone.Safety of 2-Bromothiazole

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

Metabolism of sulfathiazole. I. Excreted substance in human urine after administration of sulfathiazole was written by Uno, Toyozo;Ueda, Michihiro. And the article was included in Yakugaku Zasshi in 1960.Synthetic Route of C11H11N3O3S2 This article mentions the following:

The urine during oral administration of sulfathiazole (I) was examined by paper chromatography, using neutral, acid, and alk. developing solvents and by paper electrophoresis. I, acetylsulfathiazole (II), sulfathiazole N⁴-sulfonate, sulfathiazole N⁴-glucuronide, and an unknown substance (III) were detected. These products, except the III, were compared with authentic samples. In another experiment I, II, and an unknown glucuronic acid conjugate were isolated but no other substances. A new and simple apparatus for two-dimensional, ascending paper chromatography was devised, in which the filter paper was wrapped in a plastic sheet. In the experiment, the researchers used many compounds, for example, N-(4-(N-(Thiazol-2-yl)sulfamoyl)phenyl)acetamide (cas: 127-76-4Synthetic Route of C11H11N3O3S2).

N-(4-(N-(Thiazol-2-yl)sulfamoyl)phenyl)acetamide (cas: 127-76-4) belongs to thiazole derivatives. Thiazole is a five-membered, unsaturated, planar, 蟺-excessive heteroaromatic containing one sulfur atom and one pyridine-type nitrogen atom at position 3 of the cyclic ring system.Various laboratory methods exist for the organic synthesis of thiazoles. For example, 2,4-dimethylthiazole is synthesized from thioacetamide and chloroacetone.Synthetic Route of C11H11N3O3S2

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

(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 蟺-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 未 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