ChemicalBook--->CAS DataBase List--->850786-33-3

850786-33-3

850786-33-3 Structure

850786-33-3 Structure
IdentificationBack Directory
[Name]

Benzonitrile, 4-(4,5-dihydro-1H-imidazol-2-yl)-
[CAS]

850786-33-3
[Synonyms]

SARS-CoV-2-IN-59
4-(4,5-Dihydro-2-imidazolyl)benzonitrile
4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
Benzonitrile, 4-(4,5-dihydro-1H-imidazol-2-yl)-
[Molecular Formula]

C10H9N3
[MOL File]

850786-33-3.mol
[Molecular Weight]

171.2
Chemical PropertiesBack Directory
[Melting point ]

202 °C
[Boiling point ]

327.7±44.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[pka]

9.52±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

SARS-CoV-2-IN-59 (compound E07), an imidazoline derivative, is a non-peptide small molecule inhibitor of SARS-CoV-2 that targets the main protease (Mpro) of the coronavirus. SARS-CoV-2-IN-59 has a strong interaction with residues on Mpro (Met 165, Gln 166, Met 165, His 41, Gln 189)[1].
[References]

[1] Azimi S, et al. Green and rapid and instrumental one-pot method for the synthesis of imidazolines having potential anti-SARS-CoV-2 main protease activity. Sustain Chem Pharm. 2023 Sep;34:101136.. . DOI:10.1016/j.scp.2023.101136
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