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SARS-CoV-2 main protease inhibitor 11a
产品别名
2103278-86-8
SARS-CoV-2 main protease inhibitor 11a
SARS-CoV-2 Mpro inhibitor 11a
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
SARS-CoV-2 3CLpro inhibitor 11a
N-[(1S)-1-(Cyclohexylmethyl)-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]-1H-indole-2-carboxamide
结构式
基本信息
Empirical Formula【经验(实验)分子式】 | C25H32N4O4 |
Molecular weight | 452.55 |
Biochem/physiol Actions【生化/生理作用】 | 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.). |
产品性质
Quality Level【质量水平】 | 100 |
Assay【测定】 | ≥90% (HPLC) |
form【形式】 | powder |
color【颜色】 | white to beige |
solubility【溶解性】 | DMSO: 2 mg/mL, clear |
storage temp.【储存温度】 | 2-8℃ |
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 |
安全信息
Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
WGK | WGK 3 |