Boceprevir

Boceprevir is an inhibitor of hepatitis C virus (HCV) non-structural protease 3/4A (NS3/4A, Ki = 14 nM for the HCV genotype 1b enzyme). Boceprevir inhibits HCV replication in Huh7 cells (EC50 = 200 nM). It also inhibits severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro, Ki = 1.8 µM) and reduces cytopathic effects of SARS-CoV-2 in Vero cells (EC50 = 1.31 µM). Formulations containing boceprevir have been used in the treatment of HCV.Formal Name: (1R,2S,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-3-azabicyclo[3.1.0]hexane-2-carboxamide. CAS Number: 394730-60-0. Synonyms: Victrelis. Molecular Formula: C27H45N5O5. Formula Weight: 519.7. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/ml, DMF: 25 mg/mL, DMSO: 16 mg/mL, DMSO: 16 mg/ml, Ethanol: 25 mg/ml, Ethanol: 25 mg/mL, Ethanol:PBS (pH 7.2) (1:6): 0.14 mg/ml, Ethanol:PBS (pH 7.2) (1:6): 0.14 mg/mL. SMILES: O=C(NC(C(C(N)=O)=O)CC1CCC1)[C@H]2N(C([C@H](C(C)(C)C)NC(NC(C)(C)C)=O)=O)C[C@H]3[C@@H]2C3(C)C. InChi Code: InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1. InChi Key: LHHCSNFAOIFYRV-DOVBMPENSA-N.