Month: October 2022

Computed Properties of C7H5ClN2SOn September 30, 2022 ,《Six-substituted benzothiazole based dispersed azo dyes having antipyrine moiety: synthesis, characterization, DFT, antimicrobial, anticancer and molecular docking studies》 was published in Journal of the Iranian Chemical Society. The article was written by Maliyappa, M. R.; Keshavayya, J.; Nazrulla, Mohammed Azeezulla; Sudhanva, M. S.; Rangappa, Shobith. The article contains the following contents:

A series of benzothiazole based dispersed azo compounds I [R = H, Cl, Me, etc.] were synthesized by diazotization of benzothiazole derivatives coupling with antipyrine through traditional electrophilic substitution reaction in the temperature range of 0-5°C. The chem. structure of the prepared mols. I was characterized by various anal. and spectroscopic techniques. Further, the theor. vibrational and structural optimization studies of the mols. I were investigated by using DFT/B3LYP method. All the synthesized azo dyes I were evaluated for their in vitro antimicrobial activities against various bacterial and fungal strains, and the obtained results were exhibited to be potent antimicrobial activities compared with the reference compound Further, the mol. docking studies was performed and results showed the possible interaction between the synthesized chem. compound and the receptor. In addition, the in vitro anticancer activity of all the synthesized azo dyes was performed against different human cancer cell lines such as A549, K562 and MDA-MB-231 by using MTT assay.6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9Computed Properties of C7H5ClN2S) was used in this study.

6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9) belongs to thiazoles. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities.Computed Properties of C7H5ClN2SThiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis.

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

Electric Literature of C7H5ClN2SOn October 1, 2019 ,《Discovery of novel pyrimidine-based benzothiazole derivatives as potent cyclin-dependent kinase 2 inhibitors with anticancer activity》 was published in European Journal of Medicinal Chemistry. The article was written by Diao, Peng-Cheng; Lin, Wei-Yuan; Jian, Xie-Er; Li, Yan-Hong; You, Wen-Wei; Zhao, Pei-Liang. The article contains the following contents:

To develop novel CDK2 inhibitors as anticancer agents, a series of novel pyrimidine-based benzothiazole derivatives I (R = 4-(S(O)2NH2), 4-(piperidin-1-yl), 3-F, etc.) and II (R1 = H, F, Cl, Me, MeO; R2 = H, Me, F; R3 = Me, NH2) was designed and synthesized. Initial biol. evaluation demonstrated that some of target compounds displayed potent antitumor activity in vitro against five cancer cell lines. Especially, the analog II (R1 = F; R2 = H; R3 = NH2) exhibited approx. potency with AZD5438 toward four cells including HeLa, HCT116, PC-3, and MDA-MB-231 with IC50 values of 0.45, 0.70, 0.92, 1.80 μM, resp. More interestingly, the most highly active compound II (R1 = F; R2 = H; R3 = NH2) in this study also possessed promising CDK2/cyclin A2 inhibitory activities with IC50 values of 15.4 nM, which was almost 3-fold potent than pos. control AZD5438, and mol. docking studies revealed that the analog bound efficiently with the CDK2 binding site. Further studies indicated that compound II (R1 = F; R2 = H; R3 = NH2) could induce cell cycle arrest and apoptosis in a concentration-dependent manner. These observations suggest that pyrimidine-benzothiazole hybrids represent a new class of CDK2 inhibitors and well worth further investigation aiming to generate potential anticancer agents.6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9Electric Literature of C7H5ClN2S) was used in this study.

6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9) belongs to thiazoles. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities.Electric Literature of C7H5ClN2SThiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis.

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

In 2009,Uto, Yoshikazu; Ogata, Tsuneaki; Kiyotsuka, Yohei; Miyazawa, Yuriko; Ueno, Yuko; Kurata, Hitoshi; Deguchi, Tsuneo; Yamada, Makiko; Watanabe, Nobuaki; Takagi, Toshiyuki; Wakimoto, Satoko; Okuyama, Ryo; Konishi, Masahiro; Kurikawa, Nobuya; Kono, Keita; Osumi, Jun published 《Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part II: Identification of 4-ethylamino-3-(2-hydroxyethoxy)-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide and its biological evaluation》.Bioorganic & Medicinal Chemistry Letters published the findings.Application of 3034-22-8 The information in the text is summarized as follows:

The continuing investigation of SAR studies of 3-(2-hydroxyethoxy)-N-(5-benzylthiazol-2-yl)benzamides as stearoyl-CoA desaturase-1 (SCD-1) inhibitors was reported. A prior hit-to-lead effort resulted in the identification of I (R = OMe) as a potent and orally efficacious SCD-1 inhibitor. Further optimization of the structural motif resulted in the identification of I (R = NHEt) with sub-nanomolar IC50 in both murine and human SCD-1 inhibitory assays. This compound demonstrated a dose-dependent decrease in the plasma desaturation index in C57BL/6J mice on a non-fat diet after 7 days of oral administration. In addition to this study using 5-Bromothiazol-2-amine, there are many other studies that have used 5-Bromothiazol-2-amine(cas: 3034-22-8Application of 3034-22-8) was used in this study.

5-Bromothiazol-2-amine(cas: 3034-22-8) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.Application of 3034-22-8

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

In 2011,Thomas, Mathew; Huang, Wei-Sheng; Wen, David; Zhu, Xiaotian; Wang, Yihan; Metcalf, Chester A.; Liu, Shuangying; Chen, Ingrid; Romero, Jan; Zou, Dong; Sundaramoorthi, Raji; Li, Feng; Qi, Jiwei; Cai, Lisi; Zhou, Tianjun; Commodore, Lois; Xu, Qihong; Keats, Jeff; Wang, Frank; Wardwell, Scott; Ning, Yaoyu; Snodgrass, Joseph T.; Broudy, Marc I.; Russian, Karin; Iuliucci, John; Rivera, Victor M.; Sawyer, Tomi K.; Dalgarno, David C.; Clackson, Tim; Shakespeare, William C. published 《Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant》.Bioorganic & Medicinal Chemistry Letters published the findings.Related Products of 3034-22-8 The information in the text is summarized as follows:

Ponatinib (AP24534) was previously identified as a pan-BCR-ABL inhibitor that potently inhibits the T315I gatekeeper mutant, and has advanced into clin. development for the treatment of refractory or resistant CML. In this study, we explored a novel series of five and six membered monocycles as alternate hinge-binding templates to replace the 6,5-fused imidazopyridazine core of ponatinib. Like ponatinib, these monocycles are tethered to pendant toluanilides via an ethynyl linker. Several compounds in this series displayed excellent in vitro potency against both native BCR-ABL and the T315I mutant. Notably, a subset of inhibitors exhibited desirable PK and were orally active in a mouse model of T315I-driven CML. In the experiment, the researchers used 5-Bromothiazol-2-amine(cas: 3034-22-8Related Products of 3034-22-8)

5-Bromothiazol-2-amine(cas: 3034-22-8) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Related Products of 3034-22-8

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

In 2011,Hebeisen, Paul; Haap, Wolfgang; Kuhn, Bernd; Mohr, Peter; Wessel, Hans Peter; Zutter, Ulrich; Kirchner, Stephan; Ruf, Armin; Benz, Joerg; Joseph, Catherine; Alvarez-Sanchez, Ruben; Gubler, Marcel; Schott, Brigitte; Benardeau, Agnes; Tozzo, Effie; Kitas, Eric published 《Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase》.Bioorganic & Medicinal Chemistry Letters published the findings.Product Details of 3034-22-8 The information in the text is summarized as follows:

A novel sulfonylureido pyridine series exemplified by compound 19 (I) yielded potent inhibitors of FBPase showing significant glucose reduction and modest glycogen lowering in the acute db/db mouse model for Type-2 diabetes. Our inhibitors occupy the allosteric binding site and also extend into the dyad interface region of tetrameric FBPase. The experimental part of the paper was very detailed, including the reaction process of 5-Bromothiazol-2-amine(cas: 3034-22-8Product Details of 3034-22-8)

5-Bromothiazol-2-amine(cas: 3034-22-8) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Product Details of 3034-22-8

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

Name: ABTS DiammoniumOn November 30, 2021 ,《Extraction optimization of polysaccharides from Gougunao tea and assessment of the antioxidant and hypoglycemic activities of its fractions in vitro》 appeared in Bioactive Carbohydrates and Dietary Fibre. The author of the article were Deng, Qihuan; Wang, Wenjun; Zhang, Qingfeng; Chen, Jiguang; Zhou, Huan; Meng, Wenya; Li, Jingen. The article conveys some information:

The extraction optimization, characterization, antioxidant activities and hypoglycemic in vitro of polysaccharides from Gougunao tea (GTP) were investigated in this study. The extraction conditions were optimized as extraction time of 3.2 h, solid-liquid ratio of 1:30 (g/mL) and extraction temperature of 95 °C, reaching a maximum yield of 10.78 0.21%. Three new fractions (GTP40, GTP60 and GTP80) were separated from GTP by gradient concentrations of ethanol. Their weight-average mol. weight, number-average mol. weight and polydispersity index were determined to be 48286-195451 Da, 33946-118948 Da, 1.422-1.643 by the high-performance gel permeation chromatog. (HPGPC). Chem. anal. revealed that they were all composed of arabinose, galactose, ribose, glucose, rhamnose, manose, xylose, glucuronic acid, and galacturonic acid with different molar ratios, as well as a small amount of proteins. What′s remarkable is that the antioxidant and hypoglycemic activities in vitro of them were all in the order of GTP40>GTP60>GTP80 in a concentration-dependent manner. The half inhibition concentrations (IC50) of GTP40 for 2,2-Diphenyl-1-picrylhydrazyl radical, 2,2′-Azino-bis (3-ethylbenzothiazoline- 6-sulfonic acid) radical, hydroxyl radical were 0.066 mg/mL, 0.255 mg/mL and 3.610 mg/mL, and for a-amylase and a-glucosidase were 1.271 mg/mL and 0.013 mg/mL, resp. It will provide a theor. basis for the further utilization of polysaccharides from Gougunao tea. In the experiment, the researchers used many compounds, for example, ABTS Diammonium(cas: 30931-67-0Name: ABTS Diammonium)

ABTS Diammonium(cas: 30931-67-0) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Name: ABTS Diammonium

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

Application In Synthesis of 6-Chlorobenzothiazol-2-ylamineOn May 1, 2020 ,《Discovery of 4-hydroxy-2-oxo-1,2-dihydroquinolines as potential inhibitors of Streptococcus pneumoniae, including drug-resistant strains》 appeared in Bioorganic & Medicinal Chemistry Letters. The author of the article were Huddar, Srigouri; Park, Chul Min; Kim, Hyung Jun; Jang, Soojin; Lee, Sunkyung. The article conveys some information:

New therapies for treating drug-resistant pneumococcal infections are urgently needed. The novel scaffold 6-hydroxy-4-oxo-1,2-dihydro-4H-quinoline was shown to have similar efficacies against all three different serotypes of S. pneumoniae, ATCC 49617 (19F), ATCC BAA-1663 (15B), and ATCC 700904 (19A), in a resazurin-based high-throughput screen using the Korea Chem. Bank library. Further studies to identify a new lead with this scaffold, including tricyclic pyrrolo[3,2,1-ij]quinolone and pyrido[3,2,1-ij]quinolone derivatives, led to the identification of 6d, 7d and 12a. Compound 6d (IC50 = 0.92, 0.75, and 0.77μM), 7d (IC50 = 0.57, 0.66, and 0.38μM) and 12a() (IC50 = 0.27, 1.03, and 0.62μM) showed submicromolar IC50 values against 19F, 15B, and 19A, resp., and thus serve as a starting point for further optimization. While some of compounds in this series exhibited acceptable pharmacokinetic profiles in preliminary in vivo rat experiments, the most active compound 12a showed poor solubility and high plasma protein binding. Our current research efforts are focused on optimizing compounds to improve physicochem. properties as well as potency. The results came from multiple reactions, including the reaction of 6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9Application In Synthesis of 6-Chlorobenzothiazol-2-ylamine)

6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9) belongs to thiazoles. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities.Application In Synthesis of 6-Chlorobenzothiazol-2-ylamineThiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis.

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

HajKacem, Sihem; Galai, Said; Hernandez Fernandez, Francisco Jose; Perez de los Rios, Antonia; Smaali, Issam; Quesada Medina, Joaquin published an article on January 31 ,2020. The article was titled 《Bioreactor Membranes for Laccase Immobilization Optimized by Ionic Liquids and Crosslinking Agents》, and you may find the article in Applied Biochemistry and Biotechnology.HPLC of Formula: 30931-67-0 The information in the text is summarized as follows:

A novel concept of membrane bioreactor based on polymeric ionic liquids laccase membrane has been implemented in batch process for decolorization of the anthraquinonic dye Remazol Brillant Blue R (RBBR). New laccase immobilization strategy has been optimized by casting the enzyme into a polymeric inclusion membrane (PIM) using ionic liquids (ILs) and polyvinyl chloride (PVC) leading to laccase polymeric IL membrane (PILM). Four different ILs (1-octyl-3-metylimidazolium bis(trifluoromethylsulfonyl)imide, [OMIM][NTF2]; cholinium bis(trifluoromethylsulfonyl)imide, [Ch ol][NTF2]; cholinium dihydrogenphosphate, [Chol][H2PO4] and hydroxyethylammonium formate, [HEA][Fo]) have been screened and mixed to constitute the active phase of the support of PIM. This strategy has been fully succeeded since high laccase immobilization rates were recorded (about 98%) when using the optimal mixture containing three ILs (45% [OMIM][NTf2]/5% [Chol][NTf2]/2.5% [HEA][Fo]) and supplemented by 0.5% glutaraldehyde. It was found that such mixture contributes to increase the stability and reusability of laccase-PILM during eight successive assays in a batch discontinued stirred reactor. Decolorization rate of 75% has been reached in the batch decolorization process of RBBR with high reusability yield. In the part of experimental materials, we found many familiar compounds, such as ABTS Diammonium(cas: 30931-67-0HPLC of Formula: 30931-67-0)

ABTS Diammonium(cas: 30931-67-0) belongs to anime. Aniline, ethanolamines, and several other amines are major industrial commodities used in making rubber, dyes, pharmaceuticals, and synthetic resins and fibres and for a host of other applications. Most of the numerous methods for the preparation of amines may be broadly divided into two groups: (1) chemical reduction (replacement of oxygen with hydrogen atoms in the molecule) of members of several other classes of organic nitrogen compounds and (2) reactions of ammonia or amines with organic compounds.HPLC of Formula: 30931-67-0

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

Wang, Dan; Lou, Jiangfei; Xu, Jin; Yuan, Jiugang; Wang, Qiang; Wang, Ping; Fan, Xuerong published an article in Environmental Science and Pollution Research. The title of the article was 《Degradation of octylphenol polyethoxylates with a long ethoxylate chain using the laccase-mediated systems》.Reference of ABTS Diammonium The author mentioned the following in the article:

Alkylphenol polyethoxylates (APEOn) are the second-largest category of com. nonionic surfactants, which are difficult to degrade naturally in the environment. This study examined the degradation of octylphenol polyethoxylate (OPEOn) by laccase and its laccase-mediated systems. The results showed that OPEOn was poorly degraded by laccase alone. 2, 2′-azino-bis [3-ethylbenzothiazoline-6-sulfonic acid] (ABTS), 1-hydroxybenzotriazole (HBT), and 2, 2, 6, 6-tetramethylpiperidine-1-oxyl (TEMPO) were selected as the redox mediators. Exptl. results also indicated that 52.4% of the initial OPEOn amount was degraded by laccase in the presence of TEMPO. The degradation efficiency was analyzed using high-performance liquid chromatog. Furthermore, the structural characteristics of the degradation products were measured using matrix-assisted laser desorption/ionization-time of flight mass spectrometry and NMR spectroscopy, and it could be found that the laccase-TEMPO system could gradually shorten the ethoxylate chain by oxidizing the primary hydroxyl group of OPEOn, thereby degrading the OPEOn of the macromol. into small mols. The maximum of the ion peak distributions of OPEOn decreased from n = 8 finally down to 3. The novel enzymic system introduced by this study will become a promising alternative method for high-efficiency APEOn conversion and had great potential value in wastewater treatment. The results came from multiple reactions, including the reaction of ABTS Diammonium(cas: 30931-67-0Reference of ABTS Diammonium)

ABTS Diammonium(cas: 30931-67-0) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Reference of ABTS Diammonium

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

In 2006,Vulpetti, Anna; Casale, Elena; Roletto, Fulvia; Amici, Raffaella; Villa, Manuela; Pevarello, Paolo published 《Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors》.Journal of Molecular Graphics & Modelling published the findings.SDS of cas: 3034-22-8 The information in the text is summarized as follows:

N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50 = 808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50 = 20 nM). The syntheses, structure-based analog design, kinases inhibition data and x-ray crystallog. structures of CDK2/inhibitor complexes are reported. The results came from multiple reactions, including the reaction of 5-Bromothiazol-2-amine(cas: 3034-22-8SDS of cas: 3034-22-8)

5-Bromothiazol-2-amine(cas: 3034-22-8) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.SDS of cas: 3034-22-8

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