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Seladelpar

CAT: 0931-T4628-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T4628-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851528-79-5
Target
PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair
Purity
0.9941
Bioactivity
Seladelpar (MBX 8025) has been used in trials studying the treatment of Hyperlipidemia.
Smiles
CCO[C@H](COc1ccc(cc1)C(F)(F)F)CSc1ccc(OCC(O)=O)c(C)c1
Molecular Formula
C21H23F3O5S
Molecular Weight
444.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Seladelpar

Seladelpar is a peroxisome proliferator-activated receptor (PPAR)-delta (δ) agonist. Seladelpar is a single enantiomer of the R-configuration. On August 14, 2024, seladelpar was granted accelerated approval by the FDA for the treatment of primary biliary cholangitis, which is a condition associated with aberrant bile acid metabolism. Seladelpar works to block bile acid synthesis.

CAS Number851528-79-5
PubChem CID11236126
IUPAC Name2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetic acid
Molecular FormulaC21H23F3O5S
Molecular Weight444.5
XLogP5.2
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count30
Formal Charge0
Complexity511
SMILES
CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)O)C
InChI
InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
InChIKey
JWHYSEDOYMYMNM-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Seladelpar
CAS: 851528-79-5
CID: 11236126
Formula: C21H23F3O5S
MW: 444.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass444.12182949
Monoisotopic Mass444.12182949
Topological Polar Surface Area90.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C12077-1gSeladelpar
CS-O-59393Seladelpar-d4
A20744-100Seladelpar 100mg
A20744-25Seladelpar 25mg
A20744-10Seladelpar 10mg
MBS5775912Seladelpar lysine
A20744-50Seladelpar 50mg
CS-O-59392Seladelpar-d5
CS-O-59391Seladelpar-d6
CS-O-64895Seladelpar sulfoxide

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