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Merck
CN

SML3137

Boceprevir

≥98% (HPLC)

别名:

(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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关于此项目

经验公式（希尔记法）:
C27H45N5O5
化学文摘社编号:
394730-60-0
分子量:
519.68
UNSPSC Code:
12352107
NACRES:
NA.77
MDL number:
MFCD22208555

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产品名称

Boceprevir, ≥98% (HPLC)

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

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 key

LHHCSNFAOIFYRV-DOVBMPENSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

Quality Level

100

相关类别

Biochem/physiol Actions

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).
Orally bioavailable, potent and selective hepatitis C virus (HCV) NS3 protease inhibitor.

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H361f

Hazard Classifications

Repr. 2

存储类别

11 - Combustible Solids

wgk

WGK 3

法规信息

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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000156203
0000156204
0000156203
0000134540
0000134540

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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
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
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
Srikanth Venkatraman et al.
Journal of medicinal chemistry, 49(20), 6074-6086 (2006-09-29)
Hepatitis C virus (HCV) infection is the major cause of chronic liver disease, leading to cirrhosis and hepatocellular carcinoma, which affects more than 170 million people worldwide. Currently the only therapeutic regimens are subcutaneous interferon-alpha or polyethylene glycol (PEG)-interferon-alpha alone
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