Nelfinavir (mesylate)

Nelfinavir is an orally bioavailable inhibitor of the HIV-1 protease (Ki =2 nM). It demonstrates anti-cancer activity, selectively preventing the growth of HER2-positive breast cancer cells in vitro by inhibiting Hsp90 (IC50 = 3.1 µM). Formulations containing nelfinavir have been used in combination with HIV reverse transcriptase inhibitors for the treatment of HIV infection.Formal Name: (3S,4aS,8aS)-N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide, monomethanesulfonate. CAS Number: 159989-65-8. Synonyms: AG-1343, Nelfin. Molecular Formula: C32H45N3O4S . CH3SO3H. Formula Weight: 663.9. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 14 mg/ml, Ethanol: 20 mg/ml, Ethanol:PBS (pH 7.2)(1:2): 0.33 mg/ml. lambdamax: 253 nm. SMILES: [H][C@]12[C@](CN(C[C@H]([C@H](CSC3=CC=CC=C3)NC(C4=C(C)C(O)=CC=C4)=O)O)[C@H](C(NC(C)(C)C)=O)C2)([H])CCCC1.CS(=O)(O)=O. InChi Code: InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4,1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39),1H3,(H,2,. InChi Key: NQHXCOAXSHGTIA-SKXNDZRYSA-N.