Molecular Insight into the Discrepancy of Antitubercular Activity between 8-Nitro and 8-Cyano Benzothiazinones was written by Zhang, Gang;Chen, Daoxing;Wang, Sufang;Chen, Hualong;Wei, Ning;Chen, Guirong. And the article was included in ChemistrySelect in 2020.Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid This article mentions the following:
Benzothiazinones with 8-NO2 group was a novel class of compounds with potent antitubercular activity, especially BTZ043 I and PBTZ169 II, which covalently inhibit DprE1. 8-CN benzothiazinones III [R = H, Me; R1 = H, Me; R2 = cyclopropyl, cyclopentyl, oxetan-3-yl, etc.] was reported as another type of benzothiazinones with potent antitubercular activity. Taking this as the starting point, a series of 8-CN benzothiazinones III were synthesized and evaluated for their antitubercular activity. To better understand the antitubercular activity of this series of benzothiazinones III, the difference between the mol. structures of CN01 and PBTZ169 in crystal were analyzed. CN01 III [R = H; R1 = H; R2 = cyclohexyl] and PBTZ169 II showed completely different conformations of the piperazine ring. D. functional theory anal. (DFT) and mol. dynamics (MD) simulation were performed to provide more details to explain the different antitubercular activity. All the anal. based on crystallog., quantum chem., and mol. modeling lay a foundation for the subsequent structural optimization of 8-CN benzothiazinones III. In the experiment, the researchers used many compounds, for example, 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid).
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Recommanded Product: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid
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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics