Atazanavir-d6

CAS: 1092540-50-5

Ref. TR-A790056

Product Information

• Name: Atazanavir-d6
• Synonyms: (3S,8S,9S,12S)-,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-Pentaazatetradecanedioic Acid 14- di(methyl-d3) Ester
• Brand: TRC

Description

Applications Atazanavir-d6 is the isotope labelled analog of Atazanavir (A790051); an azapeptide HIV protease inhibitor. Atazanavir has also been investigated as potential treatment of human immunodeficiency virus (HIV) and for anticancer purposes.
References Musial, B.L., et al.: Am. J. Health Syst. Pharm., 61, 1365 (2004); Wood, R., et al.: J. Acquir. Immune Defic. Syndr., 36, 684 (2004)

Chemical properties

• Molecular weight: 710.89
• Formula: C₃₈H₄₆D₆N₆O₇
• Color/Form: Neat
• InChI: InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1/i7D3,8D3
• InChI key: InChIKey=AXRYRYVKAWYZBR-KIKHQXPDSA-N
• SMILES: [2H]C([2H])([2H])OC(=O)NC(C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])C(C)(C)C)C(C)(C)C