Anagliptin, a potent dipeptidyl peptidase IV inhibitor: its single-crystal structure and enzyme interactions
作者： Yukihisa S. Watanabe , Yoshika Yasuda , Yuko Kojima , Shino Okada , Tomoko Motoyama
DOI: 10.3109/14756366.2014.1002402
关键词:
摘要: AbstractThe single-crystal structure of anagliptin, N-[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide, was determined. Two independent molecules were held together by intermolecular hydrogen bonds, and the absolute configuration 2-cyanopyrrolidine ring delivered from l-prolinamide confirmed to be S. The interactions anagliptin with DPP-4 clarified co-crystal solved at 2.85 A resolution. Based on determined X-ray crystallography, potency selectivity discussed, an SAR study using derivatives performed.
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