Darunavir Ethanolate

CAS: 635728-49-3

Ref. TR-D193520

Product Information

• Name: Darunavir Ethanolate
• Synonyms: Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, compd. with ethanol (1:1), Carbamic acid, [(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, compd. with ethanol (1:1) (9CI), Prezista, Unii-33O78Xf0Bw, Carbamic acid, ((1S,2R)-3-(((4-aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-, (3R,3aS,6aR)-hexahydrofuro(2,3-b)furan-3-yl ester, compd. with ethanol (1:1)

Description

Applications Darunavir Ethanolate (Prezista) is an HIV protease inhibitor. Derivative of Darunavir (D193500), a second generation HIV-1-protease inhibitor; structurally similar to amprenavir. Antiviral. It is a COVID19-related research product.
References Holmstock, N. et al.: Drug Metab. Disp., 40, 1473 (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: 593.73
• Formula: C₂₇H₃₇N₃O₇S·C₂H₆O
• Color/Form: Off-White
• InChI: InChI=1S/C27H37N3O7S.C2H6O/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;1-2-3/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32);3H,2H2,1H3/t22-,23-,24+,25-,26+;/m0./s1
• InChI key: InChIKey=JGZUXNKFPYDXRX-VBTXLZOXSA-N
• SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.[C]CO