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Chemical structure of Seladelpar sodium salt

GC37622

Seladelpar sodium salt

Also known as sodium 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate

Seladelpar sodium salt (MBX-8025) is an orally active, potent and specific PPARδ agonist with an EC50 of 2 nM, showing more than 750-fold and 2500-fold selectivity over the PPARα and PPARγ receptors, respectively

ChemicalCAS3026272-26-1MW466.45FormulaC21H22F3NaO5S
CAS number
3026272-26-1
Molecular weight
466.45
Formula
C21H22F3NaO5S
Solubility
DMSO: 50 mg/mL (107·19 mM)
InChIKey
XCAXFCPCOXDEHC-UNTBIKODSA-M
Catalogue number
GC37622
Brand
GLPBIO
Computed properties PubChem CID 132472230 · TPSA 93.1 Ų · H-bond donors 0 · H-bond acceptors 9
TPSA
93.1 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
31

SMILES CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)[O-])C.[Na+]

Computed descriptors from PubChem (CID 132472230), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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