SML2877

SARS-CoV-2 main protease inhibitor 11a

≥90% (HPLC)

• 同義詞: 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
• 經驗公式（希爾表示法）: C₂₅H₃₂N₄O₄
• CAS號碼: 2103278-86-8
• 分子量：: 452.55
• 分類程式碼代碼: 51111800
• NACRES: NA.54

屬性

• 品質等級: 100
• 化驗: ≥90% (HPLC)
• 形狀: powder
• 顏色: white to beige
• 溶解度: DMSO: 2 mg/mL, clear
• 儲存溫度: 2-8°C
• SMILES 字串: 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 密鑰: HPKJGHVHQWJOOT-ZJOUEHCJSA-N

描述

生化／生理作用

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.).

安全資訊

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable