Cobicistat

Cobicistat is an inhibitor of the cytochrome P450 (CYP) isomer CYP3A (IC50s = 30-285 nM for CYP3A metabolism of various HIV protease inhibitors). It is selective for CYP3A over other CYP isomers (IC50 = >25 µM for CYP1A2, 2C8, 2C9, and 2C19). Cobicistat does not inhibit HIV-1 protease (IC50 = >30 µM) or affect HIV replication in MT-2 cells (EC50 = >30 µM). Formulations containing cobicistat have been used to slow the metabolism of concomitantly administered protease inhibitors in the treatment of HIV.Formal Name: (3R,6R,9S)-12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoic acid, 5-thiazolylmethyl ester. CAS Number: 1004316-88-4. Synonyms: GS-9350. Molecular Formula: C40H53N7O5S2. Formula Weight: 776.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 20 mg/ml, DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml, Ethanol: 10 mg/ml. lambdamax: 203, 242 nm. SMILES: O=C([C@H](CCN1CCOCC1)NC(N(C)CC2=CSC(C(C)C)=N2)=O)N[C@H](CC[C@@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)CC5=CC=CC=C5. InChi Code: InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1. InChi Key: ZCIGNRJZKPOIKD-CQXVEOKZSA-N.