SML2877

SARS-CoV-2 main protease inhibitor 11a

≥90% (HPLC)

• Synonym(e): 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
• Empirische Formel (Hill-System): C₂₅H₃₂N₄O₄
• CAS-Nummer: 2103278-86-8
• Molekulargewicht: 452.55
• UNSPSC Code: 51111800
• NACRES: NA.54
• Assay: ≥90% (HPLC)
• Form: powder

Eigenschaften

• Quality Segment: 100
• 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

Beschreibung

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.).

Sicherheitshinweise

• Lagerklasse: 11 - Combustible Solids
• Was ist los?: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable