Name: mPGES1-IN-3
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212666118
Cas No:1469976-70-2
常用名:mPGES1-IN-3
IUPAC:4-[(2-chloro-6-fluorophenyl)amino]-N-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-10,13-dioxa-3,5-diazatricyclo[7.4.0.0^{2,6}]trideca-1,4,6,8-tetraene-8-carboxamide
IUPAC:4-[(2-chloro-6-fluorophenyl)amino]-N-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methyl-10,13-dioxa-3,5-diazatricyclo[7.4.0.0^{2,6}]trideca-1,4,6,8-tetraene-8-carboxamide
InChI key:HOTSVKDMIYWWIY-UHFFFAOYSA-N

分子式:C24H16ClF5N4O3
分子量:538.86
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:5.97967
SMILES:Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12
SMILES:Cn1c(Nc2c(F)cccc2Cl)nc2cc(C(=O)Nc3cc(F)cc(c3)C(F)(F)F)c3OCCOc3c12

mPGES1-IN-3 is a potent and selective inhibitor of microsomal prostaglandin E2 synthase-1 (mPGES-1) .

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