Beaulieu, Pierre L. published the artcileStructure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: Discovery of a quinazolinone chemotype, HPLC of Formula: 81565-19-7, the main research area is crystal structure quinazolinone preparation hepatitis virus polymerase inhibitor antiviral.
The authors describe the structure-based design of a novel lead chemotype that binds to thumb pocket 2 of HCV NS5B polymerase and inhibits cell-based gt1 subgenomic reporter replicons at sub-micromolar concentrations (EC50 <200 nM). This new class of potent thumb pocket 2 inhibitors features a 1H-quinazolin-4-one scaffold derived from hybridization of a previously reported, low affinity thiazolone chemotype with the recently described anthranilic acid series. Guided by x-ray structural information, a key NS5B-ligand interaction involving the carboxylate group of anthranilic acid based inhibitors was replaced by a neutral two-point hydrogen bonding interaction between the quinazolinone scaffold and the protein backbone. The in vitro ADME and in vivo rat PK profile of representative analogs are also presented and provide areas for future optimization of this new class of HCV polymerase inhibitors. Bioorganic & Medicinal Chemistry Letters published new progress about Antiviral agents. 81565-19-7 belongs to class pyridine-derivatives, name is 3-Chloro-4-(trifluoromethyl)pyridine, and the molecular formula is C6H3ClF3N, HPLC of Formula: 81565-19-7.