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1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- manufacturers
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| | 1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- Basic information |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- Chemical Properties |
| 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) |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- Usage And Synthesis |
| 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]. | | 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. |
| | 1H-Indole-2-carboxamide, N-[(1S)-1-[(3-fluorophenyl)methyl]-2-[[(1S)-1-formyl-2-[(3S)-2-oxo-3-pyrrolidinyl]ethyl]amino]-2-oxoethyl]- Preparation Products And Raw materials |
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