Name: COX-2/5-LOX-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT214435801
Cas No:2410384-50-6
常用名:COX-2/5-LOX-IN-1
IUPAC:5-(5-chlorothiophen-2-yl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylic acid
IUPAC:5-(5-chlorothiophen-2-yl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylic acid
InChI key:MBYVVQGJJDBRKH-UHFFFAOYSA-N

分子式:C14H10ClN3O4S2
分子量:383.82
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)s1)C(O)=O
SMILES:NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(Cl)s1)C(O)=O

COX-2/5-LOX-IN-1 (compound 3a), a benzothiophen-2-yl pyrazole carboxylic acid derivative, is a potent and dual inhibitor of COX-2 / 5-LOX. It exhibits superior analgesic and anti-inflammatory properties compared to Celecoxib and Indomethacin. COX-2/5-LOX-IN-1 displays strong inhibitory activity against COX-1, COX-2, and 5-LOX, with IC50 values of 12.13 μM, 0.4 μM, and 4.96 μM, respectively [1].

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