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Seladelpar sodium salt

CAT: 0931-T12876Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T12876Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2751530-13-7
Target
Others, PPAR
Related Pathways
DNA Damage/DNA Repair, Others, Metabolism
Bioactivity
Seladelpar sodium salt (MBX-8025) is an orally active and specific PPARδ agonist with an EC50 of 2 nM, demonstrating over 750-fold and 2500-fold selectivity compared to the PPARα and PPARγ receptors, respectively.
Smiles
O=C([O-])COC1=CC=C(SC[C@H](OCC)COC2=CC=C(C(F)(F)F)C=C2)C=C1C.[Na+]
Molecular Formula
C21H22F3NaO5S
Molecular Weight
466.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Seladelpar sodium salt
CAS Number2751530-13-7
PubChem CID132472230
IUPAC Namesodium 2-[4-[(2R)-2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]acetate
Molecular FormulaC21H22F3NaO5S
Molecular Weight466.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity518
SMILES
CCO[C@H](COC1=CC=C(C=C1)C(F)(F)F)CSC2=CC(=C(C=C2)OCC(=O)[O-])C.[Na+]
InChI
InChI=1S/C21H23F3O5S.Na/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);/q;+1/p-1/t17-;/m1./s1
InChIKey
XCAXFCPCOXDEHC-UNTBIKODSA-M
Chemical Structure
2D Structure
2D structure of Seladelpar sodium salt
CAS: 2751530-13-7
CID: 132472230
Formula: C21H22F3NaO5S
MW: 466.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass466.10377374
Monoisotopic Mass466.10377374
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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