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Merck
CN

SML2877

SARS-CoV-2 main protease inhibitor 11a

≥90% (HPLC)

别名:

N-((S)-3-cyclohexyl-1-oxo-1-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-ylamino)propan-2-yl)-1H-indole-2-carboxamide, N-[(1S)-1-(Cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide, SARS-CoV-2 3CLpro inhibitor 11a, SARS-CoV-2 Mpro inhibitor 11a

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关于此项目

经验公式(希尔记法):
C25H32N4O4
化学文摘社编号:
分子量:
452.55
UNSPSC Code:
51111800
NACRES:
NA.54
Assay:
≥90% (HPLC)
Form:
powder
Quality level:
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Quality Level

assay

≥90% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(N[C@@H](CC1CCCCC1)C(N[C@@H](C[C@H]2C(NCC2)=O)C=O)=O)C3=CC4=CC=CC=C4N3

InChI key

HPKJGHVHQWJOOT-ZJOUEHCJSA-N

Biochem/physiol Actions

COVID-19 corona virus SARS-CoV-2 main protease (Mpro; 3CLpro) substrate site Cys145 covalent inhibitor with low cytotoxicity in Vero E6 cultures.
Inhibitor 11a is a COVID-19 corona virus SARS-CoV-2 inhibitor that covalently targets the main protease (Mpro; a.k.a. 3C-like protease or 3CLpro) substrate site Cys145 (IC50 = 53 nM; 10 min pre-incubation with 30 nM SARS-CoV-2 Mpro prior to the addition of 20 μM substrate). Inhibitor 11a effectively inhibits SARS-CoV-2 replication in Vero E6 cultures (IC50 = 0.53 μM 24 h post infection with MOI = 0.05; cytotoxicity CC50 >100 μM) with good pharmacokinetic properties in mice in vivo (5 mg/kg via i.p. or i.v.).


存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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

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全球贸易项目编号

货号GTIN
SML2877-5MG04061842556687
SML2877-25MG04061842556670