For research use only. Not for therapeutic Use.
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].
CCF0058981 (CCF981) has cytopathic effect (CPE) inhibition (EC50=497 nM) and plaque reduction (EC50=558 nM) in vitro viral replication[1].
CCF0058981 has the 50% cytotoxic concentration (CC50) in the CPE antiviral assay of >50 μM[1].
CCF0058981 has a T1/2 of 21.1 min, a CLlnt of 141 mL/min•kg in Human liver microsomes[1].
| Catalog Number | I024239 |
| CAS Number | 2708934-53-4 |
| Synonyms | 2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide |
| Molecular Formula | C24H19ClN6O |
| Purity | ≥95% |
| InChI | InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27) |
| InChIKey | NQTRFDLUODRJKC-UHFFFAOYSA-N |
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)N(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C5=CN=CN5 |
| Reference | [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. |
