CCF0058981
PRODUCTS SPECIFICATIONS
DESCRIPTION
Overview
| MDL | - |
|---|---|
| Molecular Weight | 442.90 |
| Molecular Formula | C24H19ClN6O |
| SMILES | O=C(N(C1=CC=C(C2=CNC=N2)C=C1)CC3=CC=CC(Cl)=C3)CN4N=NC5=CC=CC=C54 |
Summary
CCF0058981 (CCF981), 3-chlorophenyl analogue, is a noncovalent SARS-CoV-2 3CL pro (SC2) inhibitor with an IC 50 of 68 nM. CCF0058981 inhibits SC1 (SARS-CoV-1 3CL pro ) with an IC 50 of 19 nM. CCF0058981 has antiviral efficacy and has the potential for COVID-19 research [1] .
IC50 & Target
IC50: 68 nM (SC2) and 19 nM (SC1) [1]
In Vitro
CCF0058981 (CCF981) has cytopathic effect (CPE) inhibition (EC
50
=497 nM) and plaque reduction (EC
50
=558 nM) in vitro viral replication
[1]
.
CCF0058981 has the 50% cytotoxic concentration (CC
50
) in the CPE antiviral assay of >50 μM
[1]
.
CCF0058981 has a T
1/2
of 21.1 min, a CL
lnt
of 141 mL/min•kg in Human liver microsomes
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 25 mg/mL ( 56.45 mM ; ultrasonic and adjust pH to 2 with HCl)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.2578 mL | 11.2892 mL | 22.5785 mL |
| 5 mM | 0.4516 mL | 2.2578 mL | 4.5157 mL |
| 10 mM | 0.2258 mL | 1.1289 mL | 2.2578 mL |
-
1.
-
2.
Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: 2.5 mg/mL (5.64 mM); Suspended solution; Need ultrasonic