| Identification | Back Directory | [Name]
1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- | [CAS]
2413716-71-7 | [Synonyms]
MPro Inhibitor 11b
SARS-CoV MPro-IN-1
SARSCoV MProIN1,SARS CoV MPro IN 1
1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- | [Molecular Formula]
C25H25FN4O4 | [MDL Number]
MFCD34470645 | [MOL File]
2413716-71-7.mol | [Molecular Weight]
464.49 |
| Chemical Properties | Back Directory | [Boiling point ]
875.4±65.0 °C(Predicted) | [density ]
1.323±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 30 mg/ml | [form ]
A crystalline solid | [pka]
13.19±0.46(Predicted) |
| Hazard Information | Back Directory | [Uses]
SARS-CoV MPro-IN-1 is a SARS-CoV-2 3CLpro covalent inhibitor, with an IC50 of 40 nM. SARS-CoV MPro-IN-1 shows good anti-SARS-CoV-2-infection activity in cell culture with an EC50 of 0.33 μM. SARS-CoV MPro-IN-1 has the potential for COVID-19 research[1]. | [Definition]
ChEBI: 3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide is a secondary carboxamide resulting from the formal condensation of the carboxy group of 1H-indole-2-carboxylic acid with the primary amino group of 3-fluoro-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide. It is an inhibitor of SARS coronavirus main proteinase and inhibits SARS-CoV-2 replication in cell culture (EC50 = 0.72 muM). It has a role as an EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor and an anticoronaviral agent. It is a secondary carboxamide, a member of pyrrolidin-2-ones, an oligopeptide, an indolecarboxamide, an aldehyde and a member of monofluorobenzenes. | [in vivo]
SARS-CoV MPro-IN-1 (compound 11b) (5 mg/kg; intravenous drip administration) shows the t1/2 is <1.65 hours and the clearance rate is 20.6 mL/min/mg[1]. | [storage]
Store at -20°C | [References]
[1] Dai W, et al. Structure-Based Design, Synthesis and Biological Evaluation of Peptidomimetic Aldehydes as a Novel Series of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease. bioRxiv; 2020. |
|
| Company Name: |
ChemeGen
|
| Tel: |
18818260767 |
| Website: |
https://www.chemegen.com |
|