Simeprevir

CAS: 923604-59-5

Ref. TR-S466500

Product Information

• Name: Simeprevir
• Synonyms: Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-, (2R,3aR,10Z,11aS,12aR,14aR)-N-(Cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, Sovriad, TMC 435, TMC 435350, Cyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, N-(cyclopropylsulfonyl)-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5-methyl-4,14-dioxo-, (2R,3aR,10Z,11aS,12aR,14aR)-, Merospevir, Olysio, Tmc 435

Description

Applications Simeprevir, is a hepatitis C virus (NS3/4A) protease inhibitor, used for the cure and treatment of hepatitis C.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Lin, T., et al.: Antimicrobial Agents and chemotherapy, 53 (4), 1377 (2009); J. Hepatology, 55 (2), 1377 (2011);

• Brand: TRC

Chemical properties

• Molecular weight: 749.94
• Formula: C₃₈H₄₇N₅O₇S₂
• Color/Form: Neat
• InChI: InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
• InChI key: InChIKey=JTZZSQYMACOLNN-AHEHUQOSSA-N
• SMILES: COc1ccc2c(O[C@H]3C[C@@H]4C(=O)N(C)CCCC/C=C\[C@@H]5CC5(C(=O)NS(=O)(=O)C5CC5)NC(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C