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.

Product information

CAS Number: 2708934-53-4

Molecular Weight: 442.90

Formula: C24H19ClN6O

Chemical Name: 2-(1H-1,2,3-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]acetamide

Smiles: O=C(CN1N=NC2=CC=CC=C12)N(CC1C=CC=C(Cl)C=1)C1C=CC(=CC=1)C1=CNC=N1

InChiKey: NQTRFDLUODRJKC-UHFFFAOYSA-N

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)

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 25 mg/mL (56.45 mM; ultrasonic and adjust pH to 2 with HCl; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

CCF0058981 (CCF981) has cytopathic effect (CPE) inhibition (EC50=497 nM) and plaque reduction (EC50=558 nM) in vitro viral replication. CCF0058981 has the 50% cytotoxic concentration (CC50) in the CPE antiviral assay of >50 μM. CCF0058981 has a T1/2 of 21.1 min, a CLlnt of 141 mL/min?kg in Human liver microsomes.

Products are for research use only. Not for human use.