2-epi-Darunavir

CAS: 850141-19-4

Ref. TR-D193530

Product Information

• Name: 2-epi-Darunavir
• Synonyms: Carbamic acid, N-[(1S,2S)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, Carbamic acid, [(1S,2S)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester (9CI), (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl N-[(1S,2S)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate, TMC 96606, [(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl] N-[(1S,2S)-3-[[[4-(Amino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate, (1S,2S)-Darunavir

Description

Applications 2-epi-Darunavir is a stereoisomer to Darunavir (D193500), a second generation HIV-1-protease inhibitor; structurally similar to amprenavir. Antiviral. It is a COVID19-related research product.
References Rao, R.N., et. al.: J. Sep. Sci., 35, 2671 (2012); Koh, Y., et al.: Antimicrob. Agents Chemother., 47, 3123 (2003); Arasteh, K., et al.: AIDS, 19, 943 (2005); Surleraux, D.L.N.G., et al.: J. Med. Chem., 48, 1813 (2005)

• Brand: TRC

Chemical properties

• Molecular weight: 547.66
• Formula: C₂₇H₃₇N₃O₇S
• Color/Form: Neat
• InChI: InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24-,25-,26+/m0/s1
• InChI key: InChIKey=CJBJHOAVZSMMDJ-RXBPMRIASA-N
• SMILES: CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@@H]21)S(=O)(=O)c1ccc(N)cc1