Name: ASP1126
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686969
Cas No:1228580-11-7
常用名:ASP1126
IUPAC:1-[(7-{[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]methoxy}-2H-chromen-3-yl)methyl]piperidine-4-carboxylic acid hydrochloride
IUPAC:1-[(7-{[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]methoxy}-2H-chromen-3-yl)methyl]piperidine-4-carboxylic acid hydrochloride
InChI key:LLYLBEQEAUKJEK-UHFFFAOYSA-N

分子式:C26H26ClF6NO5
分子量:581.94
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.4348993
SMILES:Cl.OC(=O)C1CCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(c4)C(F)(F)F)cc3OC2)CC1 |t:8|
SMILES:Cl.OC(=O)C1CCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(c4)C(F)(F)F)cc3OC2)CC1 |t:8|

ASP1126 is a selective and orally active sphingosine-1-phosphate (S1P) agonist (EC50s: 7.12 nM, 517 nM for hS1P1 and hS1P3).

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