ChemicalBook--->CAS DataBase List--->2144491-78-9

2144491-78-9

2144491-78-9 Structure

2144491-78-9 Structure
IdentificationBack Directory
[Name]

X77 rac
[CAS]

2144491-78-9
[Synonyms]

CPD77
X77 rac
MUN91789
(Rac)-X77
[Molecular Formula]

C27H33N5O2
[MOL File]

2144491-78-9.mol
[Molecular Weight]

459.58
Chemical PropertiesBack Directory
[Boiling point ]

754.1±60.0 °C(Predicted)
[density ]

1.22±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

10.60±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Description]

MUN91789, also known as CPD77, is a potent inhibitor of SARS-?CoV-?2 main protease. MUN91789 may serve as good scaffolds for the design of novel antiviral agents able to target the active site of SARS-?CoV-?2 MPro. This product has no formal name at the moment.
[Uses]

(Rac)-X77?is a racemate of X77. X77 is a potent non-covalent inhibitor of the main protease of SARS-CoV-2 (SARS-CoV-2 Mpro)[1]. X77 binds to SARS-CoV-2 Mpro with a Kd value of 0.057 μM[2].
[References]

[1] Sohini Chakraborti, et al. Drug Repurposing Approach Targeted Against Main Protease of SARS-CoV-2 Exploiting ‘Neighbourhood Behaviour’ in 3D Protein Structural Space and 2D Chemical Space of Small Molecules.
[2] Alexander M Andrianov, et al. Computational discovery of small drug-like compounds as potential inhibitors of SARS-CoV-2 main protease. J Biomol Struct Dyn DOI:10.1080/07391102.2020.1792989
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