Darunavir (ethanolate)

Darunavir is an HIV-1 protease inhibitor. It is active against HIV-1LAI in MT-2 cells (IC50 = 3 nM) with a cytotoxic concentration (CC50) of 74.4 µM. Darunavir is also active against wild-type and multidrug-resistant clinical isolates of HIV-1 in phytohemagglutinin-activated peripheral blood mononuclear cells (PHA-PBMCs, IC50s = 3 and 3-29 nM, respectively). It inhibits cell-free diffusion and cell-to-cell spread of HIV-1 in Jurkat cell populations (IC50s = 2.5 and 2.8 nM, respectively). Formulations containing darunavir have been used in combination therapy for the treatment of HIV.Formal Name: N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic acid (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester, ethanolate. CAS Number: 635728-49-3. Synonyms: TMC114. Molecular Formula: C27H37N3O7S . C2H6O. Formula Weight: 593.7. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml. lambdamax: 269 nm. SMILES: O=C(N[C@@H](CC1=CC=CC=C1)[C@@H](CN(S(C2=CC=C(N)C=C2)(=O)=O)CC(C)C)O)O[C@H]3CO[C@]4([H])[C@@]3([H])CCO4.CCO. InChi Code: 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: QWSHKNICRJHQCY-VBTXLZOXSA-N.