Boceprevir, Catalog: B2961

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(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

PRODUCT SUMMARY

Alternate Names (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

CAS # 394730-60-0

Molecular Formula C₂₇H₄₅N₅O₅

Molecular Weight 519.68

Purity > 98%

Solubility ~25 mg/ml in ethanol and DMF; ~16 mg/ml in DMSO

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

PubChem CID 10324367

MDL Number MFCD22208555

Storage Conditions -20ºC

USAGE For Research Use Only! Not For Use in Humans.

Handling Do not take it internally. Wear a glove and mask when handling the product. Protect from air and moisture. 

DESCRIPTION

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.