850786-33-3

850786-33-3 structure
850786-33-3 structure
  • Name: Benzonitrile,4-(4,5-dihydro-1H-imidazol-2-yl)-
  • Chemical Name: 4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
  • CAS Number: 850786-33-3
  • Molecular Formula: C10H9N3
  • Molecular Weight: 171.20
  • Catalog: Signaling Pathways Anti-infection SARS-CoV
  • Create Date: 2021-09-11 08:19:19
  • Modify Date: 2024-01-06 13:04:37
  • 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].

Name 4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
Synonyms MFCD16877945
4-(4,5-Dihydro-1H-imidazol-2-yl)benzonitrile
Benzonitrile, 4-(4,5-dihydro-1H-imidazol-2-yl)-
Description 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].
Related Catalog
Target

SARS-CoV-2[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.. .  

Density 1.2±0.1 g/cm3
Boiling Point 327.7±44.0 °C at 760 mmHg
Molecular Formula C10H9N3
Molecular Weight 171.20
Flash Point 152.0±28.4 °C
Exact Mass 171.079651
LogP 0.00
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.642
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