Name: PX20606 trans racemate
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212972287
Cas No:1268244-85-4;1268244-88-7
常用名:PX20606 trans racemate
别名:PX-102 trans racemate
IUPAC:4-[(1R,2R)-2-(2-chloro-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}phenyl)cyclopropyl]benzoic acid
IUPAC:4-[(1R,2R)-2-(2-chloro-4-{[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy}phenyl)cyclopropyl]benzoic acid
InChI key:XBUXXJUEBFDQHD-SFTDATJTSA-N

分子式:C29H22Cl3NO4
分子量:554.85
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:8.232822
SMILES:OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl
SMILES:OC(=O)c1ccc(cc1)[C@@H]1C[C@H]1c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1Cl

PX20606 trans racemate is an agonist of FXR (EC50s of 32 and 34 nM for FXR in FRET and M1H assay, respectively).

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