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2413716-71-7

2413716-71-7 Structure

2413716-71-7 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack Directory
[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.
[storage]

Store at -20°C
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