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Chemical structure of PX 20350 - FXR agonist Cpd 22

GB40336

PX 20350 - FXR agonist Cpd 22

Also known as 4-[[[6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-(trifluoromethyl)-3-pyridinyl]-methylamino]methyl]benzoic acid

Potent farnesoid X receptor (FXR) agonist with enhanced affinity and efficacy (12 nM and 109% (compared to GW 4064)) in FXR FRET assay and full length FXR direct reporter (DR) assay (6 nM vs 30 nM for GW 4064)· Cpd 22 showed a linear dose-dependent reduction in total plasma triglycerides and total plasma cholesterol

ChemicalCAS1198085-23-2MW592.39FormulaC28H22Cl2F3N3O4
CAS number
1198085-23-2
Molecular weight
592.39
Formula
C28H22Cl2F3N3O4
InChIKey
KNWXWQGSCZVUGX-UHFFFAOYSA-N
Catalogue number
GB40336
Brand
GLPBIO
Computed properties PubChem CID 44476535 · XLogP 6.7 · TPSA 88.7 Ų · H-bond donors 1
XLogP
6.7
TPSA
88.7 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
40

SMILES CN(CC1=CC=C(C=C1)C(=O)O)C2=C(N=C(C=C2)OCC3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C5CC5)C(F)(F)F

Computed descriptors from PubChem (CID 44476535), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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