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Chemical structure of CJ-13610

GC18728

CJ-13610

Also known as 4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carboxamide

CJ-13610 is an inhibitor of 5-lipoxygenase (5-LO) that inhibits 5-LO product formation in human polymorphonuclear leukocytes (PMNLs) challenged with A23187 in vitro (IC50 = 70 nM)

ChemicalCAS179420-17-8MW393.5FormulaC22H23N3O2S
CAS number
179420-17-8
Molecular weight
393.5
Formula
C22H23N3O2S
Solubility
DMSO: 10 mg/ml,Ethanol: 1 mg/ml
InChIKey
VPTONMHDLLMOOV-UHFFFAOYSA-N
Catalogue number
GC18728
Brand
GLPBIO
Computed properties PubChem CID 9821945 · XLogP 3.2 · TPSA 95.4 Ų · H-bond donors 1
XLogP
3.2
TPSA
95.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

SMILES CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N

Computed descriptors from PubChem (CID 9821945), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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