Name: PDE4-IN-4
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214322783
Cas No:1793069-00-7
常用名:PDE4-IN-4
别名:PDE4-IN-4
IUPAC:(1S)-2-(3,5-dichloro-1-oxo-1lambda5-pyridin-4-yl)-1-(3,4-dimethoxyphenyl)ethyl 5-({[(1R)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-2-oxo-1-phenylethyl]amino}methyl)thiophene-2-carboxylate
IUPAC:(1S)-2-(3,5-dichloro-1-oxo-1lambda5-pyridin-4-yl)-1-(3,4-dimethoxyphenyl)ethyl 5-({[(1R)-2-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-2-oxo-1-phenylethyl]amino}methyl)thiophene-2-carboxylate
InChI key:OAWZSUHVKPQVIU-LEEDBYTESA-N

分子式:C36H37Cl2N3O7S
分子量:726.67
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc(cc1OC)[C@H](Cc1c(Cl)cn(=O)cc1Cl)OC(=O)c1ccc(CN[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |THB:33:34:38.37:41.40|
SMILES:COc1ccc(cc1OC)[C@H](Cc1c(Cl)cn(=O)cc1Cl)OC(=O)c1ccc(CN[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1 |THB:33:34:38.37:41.40|

PDE4-IN-4 is a compound acting as both a potent M3 antagonist (p IC 50 = 10.2) and a PDE4 inhibitor (p IC 50 = 8.8), designed for inhalation-based treatment of pulmonary diseases.

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