Des(benzylpyridyl) Atazanavir

Des(benzylpyridyl) atazanavir is a major metabolite of the HIV-1 protease inhibitor atazanavir (Cay-11733). It is formed from atazanavir by the cytochrome P450 (CYP) isoforms CYP3A4 and CYP2D6.Formal Name: (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-2,5,6,10,13-pentaazatetradecanedioic acid 1,14-dimethyl ester. CAS Number: 1192224-24-0. Synonyms: Atazanavir metabolite M1. Molecular Formula: C26H43N5O7. Formula Weight: 537.7. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml. SMILES: O[C@@H](CNNC([C@@H](NC(OC)=O)C(C)(C)C)=O)[C@@H](NC([C@H](C(C)(C)C)NC(OC)=O)=O)CC1=CC=CC=C1. InChi Code: InChI=1S/C26H43N5O7/c1-25(2,3)19(29-23(35)37-7)21(33)28-17(14-16-12-10-9-11-13-16)18(32)15-27-31-22(34)20(26(4,5)6)30-24(36)38-8/h9-13,17-20,27,32H,14-15H2,1-8H3,(H,28,33)(H,29,35)(H,30,36)(H,31,34)/t17-,18-,19+,20+/m0/s1. InChi Key: LUAXFCAWZAZCNR-VNTMZGSJSA-N.