| Identification | Back Directory | [Name]
3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- | [CAS]
2455518-33-7 | [Synonyms]
X77
3-Pyridineacetamide, N-cyclohexyl-α-[[4-(1,1-dimethylethyl)phenyl](1H-imidazol-5-ylcarbonyl)amino]-, (αR)- | [Molecular Formula]
C27H33N5O2 | [MOL File]
2455518-33-7.mol | [Molecular Weight]
459.59 |
| Chemical Properties | Back Directory | [Boiling point ]
754.1±60.0 °C(Predicted) | [density ]
1.22±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 2mg/mL, clear | [form ]
Solid | [pka]
10.60±0.10(Predicted) | [color ]
Off-white to light yellow |
| Hazard Information | Back Directory | [Biological Activity]
X77 is considered as a reference standard in number of docking and x-ray studies. X77 is a high affinity non-covalent inhibitor of the SARS-CoV-2 main protease (SARS-CoV-2 Mpro). Its calculated dissociation constant (Kd) is 0.057 μM. X77 is an analog of ML188 a selective non-covalent SARS-CoV 3CLpro inhibitor (IC50 = 1.5 μM). |
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