Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists was written by Miah, Afjal H.;Copley, Royston C. B.;O’Flynn, Daniel;Percy, Jonathan M.;Procopiou, Panayiotis A.. And the article was included in Organic & Biomolecular Chemistry in 2014.Category: triazoles The following contents are mentioned in the article:
A knowledge-based library of aryl 2,3-dichlorophenylsulfonamides was synthesized and screened as human CCR4 antagonists, in order to identify a suitable hit for the start of a lead-optimization program. X-ray diffraction studies were used to identify the pyrazole ring as a moiety that could bring about intramol. hydrogen bonding with the sulfonamide NH and provide a clip or orthogonal conformation that was believed to be the preferred active conformation. Replacement of the core Ph ring with a pyridine, and replacement of the 2,3-dichlorobenzenesulfonamide with 5-chlorothiophenesulfonamide provided compound I which has excellent physicochem. properties and represents a good starting point for a lead optimization program. Electronic structure calculations indicated that the preference for the clip or orthogonal conformation found in the small mol. crystal structures of II and III was in agreement with the order of potency in the biol. assay. This study involved multiple reactions and reactants, such as 2-(1,2,4-Triazol-1-yl)aniline (cas: 39876-84-1Category: triazoles).
2-(1,2,4-Triazol-1-yl)aniline (cas: 39876-84-1) belongs to triazole derivatives. Among the nitrogen-containing heterocyclic compounds, triazoles emerge with superior pharmacological applications.Triazole heterocyclic structures are found to form many weak nonbond interactions with the receptors and enzymes in biological systems.Category: triazoles
Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics