SC-560, COX-1 inhibitor

Key facts

CAS number

188817-13-2

Purity

>99%

Form

Solid

form

Molecular weight

352.7 Da

Molecular formula

C₁₇H₁₂ClF₃N₂O

PubChem

4306515

Nature

Synthetic

Solubility

Soluble in DMSO to 100 mM

Soluble in ethanol to 25 mM

Biochemical name

5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole

Biological description

Highly selective cyclooxygenase-1 (COX-1) inhibitor (IC₅₀ values are 9 nM and 6.3 μM for COX-1 and COX-2, respectively). Displays anti-inflammatory, antitumor and antiviral activity. Orally active.

Canonical smiles

COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl

InChi

InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3

InChiKey

PQUGCKBLVKJMNT-UHFFFAOYSA-N

IUPAC Name

5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole