Boceprevir | B2961

Boceprevir is a protease inhibitor that binds to the catalytic site (Ser139) of hepatitis C virus (HCV) nonstructural protein 3/4A (NS3/4A), a serine protease that is essential for viral replication, with a Ki of 14 nM. It inhibits the NS3/4A protease in an in vitro HCV replicon system with an EC₅₀ value of 200 nM. It was approved for the treatment of genotype 1 Chronic hepatitis C.

Boceprevir is a protease inhibitor that binds to the catalytic site (Ser139) of hepatitis C virus (HCV) nonstructural protein 3/4A (NS3/4A), a serine protease that is essential for viral replication, with a Ki of 14 nM. It inhibits the NS3/4A protease in an in vitro HCV replicon system with an EC₅₀ value of 200 nM. It was approved for the treatment of genotype 1 Chronic hepatitis C.

B2961 | Boceprevir DataSheet

Alternate Name/Synonyms: (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; Victrelis; (1S,4S,5R)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide; SCH 503034

Appearance: Solid

Formulation:

CAS Number: 394730-60-0

Structure Available?: True

Peptide sequence:

Salt Form: false

Molecular Formula: C₂₇H₄₅N₅O₅

Molecular Weight: 519.68

Cell-Permeable?: True

Purity: >98%

Solubilities: ~16 mg/ml in DMSO in 0, ~25 mg/ml in ethanol and DMF in 0

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: An inhibitor of hepatitis C virus (HCV) protease NS3/4A

MDL Number: MFCD22208555

PubChem CID: 10324367

SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)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

InChi Key: LHHCSNFAOIFYRV-DOVBMPENSA-N