Boceprevir (>90%)
Product Code
TRC-B674500
CAS Number
Product Format
Neat
Molecular Formula
C27 H45 N5 O5
Molecular Weight
519.68
API Family
BoceprevirProduct Categories
TRC, API Reference Standards & Research Materials, Enzyme inhibitors, Anti-Hepatitis agents, Antivirals and antiretrovirals, Pharmaceutical Toxicology Reference Materials
Product Type
APIDocumentation
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Product Information
Product Notes
Boceprevir is an NS3 serine protease inhibitor that covalently but reversibly binds to the serine protease of hepatitis C virus, essential for viral replication, for the treatment of HCV infection. Specifically boceprevir is more active than telaprivir against the HCV G3 enzyme in cell-based, biochemical and replicon assays.
References [2] Cubero, M., et al.: Virology, 370, 237 (2008). [3] Venkatraman, S., et al.: J. Med. Chem., 49, 6074 (2006). [4] Trembling, PM, et al. Boceprevir: an oral protease inhibitor for the treatment of chronic HCV infection. Expert Rev Anti Infect Ther 10(3):269-79 (2012). [5] Silva, M.O., Treitel, M., Graham, D.J., Curry, S., Frontera, M.J., McMonagle, P., Gupta, S., Hughes, E., Chase, R., Lasher, F., Barnard, R.J.O., Howe, A.Y.M. and Howe, A. Antiviral activity of boceprevir monotherapy in treatment-naive subjects with chronic hepatitis C genotype 2/3, Journal of Hepatology, 59(1), 31-37 (2013). |
Chemical Data
Analyte Name
Boceprevir
CAS Number
394730-60-0
Molecular Formula
C27 H45 N5 O5
Molecular Weight
519.68
Accurate Mass
519.3421
SMILES
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C
InChI
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
IUPAC
(1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
API
Product Format
Neat
API Family