Atazanavir-8-(N-methoxycarbonyl)-L-tert-leucine Ester

CAS: 2131010-71-2

Ref. TR-A790198

Product Information

• Name: Atazanavir-8-(N-methoxycarbonyl)-L-tert-leucine Ester
• Synonyms: L-Valine, N-(methoxycarbonyl)-3-methyl-, (1S,2S)-2-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-1-[[2-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]-1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]methyl]-3-phenylpropyl ester (ACI), N-(Methoxycarbonyl)-3-methyl-L-valine (1S,2S)-2-[[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]amino]-1-[[2-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-1-oxobutyl]-1-[[4-(2-pyridinyl)phenyl]methyl]hydrazinyl]methyl]-3-phenylpropyl ester (ACI)
• Brand: TRC
• Description: Applications Atazanavir-8-(N-methoxycarbonyl)-L-tert-leucine Ester is an impurity of the drug Atazanavir (A790051). Atazanavir is a novel azapeptide HIV protease inhibitor (PI). Antiviral. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus (HIV). Newer research has been investigating the potential anticancer effects of atazanavirReferences Palella, F.J. Jr., et al.: N. Engl. J. Med., 338(13), 853 (1998), Nolan, D., et al.: Drugs, 63(23), 2555 (2003), 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: 876.05
• Formula: C₄₆H₆₅N₇O₁₀
• Color/Form: Neat
• InChI: InChI=1S/C46H65N7O10/c1-44(2,3)35(49-41(57)60-10)38(54)48-33(26-29-18-14-13-15-19-29)34(63-40(56)37(46(7,8)9)51-43(59)62-12)28-53(52-39(55)36(45(4,5)6)50-42(58)61-11)27-30-21-23-31(24-22-30)32-20-16-17-25-47-32/h13-25,33-37H,26-28H2,1-12H3,(H,48,54)(H,49,57)(H,50,58)(H,51,59)(H,52,55)/t33-,34-,35+,36+,37+/m0/s1
• InChI key: InChIKey=XZYOTUXLJJSYCJ-QQVMGQLUSA-N
• SMILES: COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C