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Merck
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주요 문서

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SML3137

Sigma-Aldrich

Boceprevir

≥98% (HPLC)

동의어(들):

(1R,2S,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[(2S)-2-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, (1R,5S)-N-[3-Amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3-[2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide, SCH 503034, SCH503034

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About This Item

실험식(Hill 표기법):
C27H45N5O5
CAS Number:
394730-60-0
Molecular Weight:
519.68
MDL number:
MFCD22208555
UNSPSC 코드:
12352107
NACRES:
NA.77

Quality Level

100

분석

≥98% (HPLC)

형태

powder

색상

white to beige

solubility

DMSO: 2 mg/mL, clear

저장 온도

−20°C

SMILES string

O=C(N1C[C@@]([H])([C@]2([C@]1(C(NC(CC3CCC3)C(C(N)=O)=O)=O)[H])[H])C2(C)C)[C@](C(C)(C)C)(NC(NC(C)(C)C)=O)[H]

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

생화학적/생리학적 작용

Boceprevir is an orally bioavailable, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor (Ki = 14 nM; cell-based replicon assay IC50 = 350 nM).

픽토그램

Health hazard
GHS08

신호어

Warning

유해 및 위험 성명서

H361f

Hazard Classifications

Repr. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

시험 성적서(COA)

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문서 라이브러리 방문

Chunlong Ma et al.
Cell research, 30(8), 678-692 (2020-06-17)
A new coronavirus SARS-CoV-2, also called novel coronavirus 2019 (2019-nCoV), started to circulate among humans around December 2019, and it is now widespread as a global pandemic. The disease caused by SARS-CoV-2 virus is called COVID-19, which is highly contagious
Yanmei Hu et al.
bioRxiv : the preprint server for biology (2020-11-04)
As the COVID-19 pandemic continues to fold out, the morbidity and mortality are increasing daily. Effective treatment for SARS-CoV-2 is urgently needed. We recently discovered four SARS-CoV-2 main protease (Mpro) inhibitors including boceprevir, calpain inhibitors II and XII and GC-376
Andrew J Prongay et al.
Journal of medicinal chemistry, 50(10), 2310-2318 (2007-04-21)
The structures of both the native holo-HCV NS3/4A protease domain and the protease domain with a serine 139 to alanine (S139A) mutation were solved to high resolution. Subsequently, structures were determined for a series of ketoamide inhibitors in complex with
B A Malcolm et al.
Antimicrobial agents and chemotherapy, 50(3), 1013-1020 (2006-02-24)
Cleavage of the hepatitis C virus (HCV) polyprotein by the viral NS3 protease releases functional viral proteins essential for viral replication. Recent studies by Foy and coworkers strongly suggest that NS3-mediated cleavage of host factors may abrogate cellular response to
Xiao Tong et al.
Antiviral research, 77(3), 177-185 (2008-01-19)
An issue of clinical importance in the development of new antivirals for HCV is emergence of resistance. Several resistance loci to ketoamide inhibitors of the NS3/4A protease have been identified (residues V36, T54, R155, A156, and V170) by replicon and
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