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2708934-53-4

2708934-53-4 Structure

2708934-53-4 Structure
IdentificationBack Directory
[Name]

1H-Benzotriazole-1-acetamide, N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-
[CAS]

2708934-53-4
[Synonyms]

1H-Benzotriazole-1-acetamide, N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-
[Molecular Formula]

C24H19ClN6O
[MOL File]

2708934-53-4.mol
[Molecular Weight]

442.9
Chemical PropertiesBack Directory
[Boiling point ]

752.0±60.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

13.34±0.10(Predicted)
[color ]

Light brown to brown
Hazard InformationBack Directory
[Description]

CCF0058981, also known as CCF981, is a ML300-Derived, Noncovalent Inhibitor Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV?2 3CLpro). CCF0058981 demonstrates nanomolar activity in these respective assays, comparable in potency to remdesivir.
[Uses]

CCF0058981 (CCF981), 3-chlorophenyl analogue, is a noncovalent SARS-CoV-2 3CLpro (SC2) inhibitor with an IC50 of 68 nM. CCF0058981 inhibits SC1 (SARS-CoV-1 3CLpro) with an IC50 of 19 nM. CCF0058981 has antiviral efficacy and has the potential for COVID-19 research[1].
[References]

[1] Sang Hoon Han, et al. Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro). J Med Chem. 2021 Aug 4;acs.jmedchem.1c00598. DOI:10.1021/acs.jmedchem.1c00598
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Benzotriazole-1-acetamide, N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]-(2708934-53-4)1HNMR
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