Name: COX-2/5-LOX-IN-3
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT214435497
Cas No:2481484-51-7
常用名:COX-2/5-LOX-IN-3
IUPAC:N-[4-(4-chlorophenyl)-3-cyanothiophen-2-yl]-2-(morpholin-4-yl)acetamide
IUPAC:N-[4-(4-chlorophenyl)-3-cyanothiophen-2-yl]-2-(morpholin-4-yl)acetamide
InChI key:MOMYWNZOSHEDCN-UHFFFAOYSA-N

分子式:C17H16ClN3O2S
分子量:361.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Clc1ccc(cc1)-c1csc(NC(=O)CN2CCOCC2)c1C#N
SMILES:Clc1ccc(cc1)-c1csc(NC(=O)CN2CCOCC2)c1C#N

COX-2/5-LOX-IN-3 (compound 5b) is a powerful and dual inhibitor of COX-2 and 5-LOX, with IC50 values of 45.73 μM, 5.45 μM, and 4.33 μM for COX-1, COX-2, and 5-LOX, respectively. This compound, COX-2/5-LOX-IN-3, shows promise for the investigation of inflammatory diseases [1].

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