Lo, Ho Yin; Bentzien, Jorg; White, Andre; Man, Chuk C.; Fleck, Roman W.; Pullen, Steven S.; Khine, Hnin Hnin; King, Josephine; Woska, Joseph R. Jr.; Wolak, John P.; Kashem, Mohammed A.; Roth, Gregory P.; Takahashi, Hidenori published the artcile< 2-Aminobenzimidazoles as potent ITK antagonists: de novo design of a pyrrole system targeting additional hydrogen bonding interaction>, SDS of cas: 7126-50-3, the main research area is aminobenzimidazole derivative preparation ITK antagonist.
Based on information from mol. modeling, a series of 2-aminobenzimidazoles with pyrrole moieties were designed and synthesized as ITK antagonists. Results showed that a significant improvement of intrinsic and cell-based potency was achieved. X-ray crystallog. anal. of an inhibitor complex with ITK confirmed the prediction from the de novo design that the pyrrole moiety of the inhibitor would form an addnl. hydrogen bonding interaction with Glu436 in the catalytic domain, and hence improve overall binding affinity of the inhibitor.
Tetrahedron Letters published new progress about Anti-inflammatory agents. 7126-50-3 belongs to class esters-buliding-blocks, and the molecular formula is C8H9NO3, SDS of cas: 7126-50-3.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics