2144491-78-9
2144491-78-9
Chemical Structure
(Rac)-X77
- CAS No.: 2144491-78-9
- Formula:C27H33N5O2
- Molecular Weight:459.58
IUPAC Name: N-(4-(tert-butyl)phenyl)-N-(2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl)-1H-imidazole-5-carboxamide
InChIKey: MUNFBYOTGGMQOS-UHFFFAOYSA-N
SMILES: O=C(NC1CCCCC1)C(C2=CN=CC=C2)N(C3=CC=C(C(C)(C)C)C=C3)C(C4=CN=CN4)=O
Biological Activity: (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].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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(Rac)-X77 | 99.65% | (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). X77 binds to SARS-CoV-2 Mpro with a Kd value of 0.057 μM. | ||||||||||||||||||||
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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 [Content Brief]
