FR167344 free base | CAS 215258-13-2 | AnyMole

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HIT212708628

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HIT212708628

HIT ID:HIT212708628
Cas No:215258-13-2
常用名:FR167344 free base
IUPAC:4-[(1E)-2-{[({3-[({3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl}oxy)methyl]-2,4-dichlorophenyl}(methyl)carbamoyl)methyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide
IUPAC:4-[(1E)-2-{[({3-[({3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl}oxy)methyl]-2,4-dichlorophenyl}(methyl)carbamoyl)methyl]carbamoyl}eth-1-en-1-yl]-N,N-dimethylbenzamide
InChI key:NDOBHDUXUJNXHX-NTEUORMPSA-N

分子式:C30H28BrCl2N5O4
分子量:673.39
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:3.7888365
SMILES:CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1
SMILES:CN(C)C(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)cc1

FR167344 free base is an orally active, nonpeptide antagonist of the bradykinin receptor B2, exhibiting high-affinity binding (IC50: 65 nM) and showing no binding affinity for the B1 receptor.

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