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Omesdafexor

CAT: 0013-GTR19184798-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184798-02Size:50 mg
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Description
Omesdafexor is a potent and selective FXR agonist used to investigate liver diseases and metabolic inflammation. It serves as a key research tool for in vitro and in vivo studies targeting conditions such as non-alcoholic steatohepatitis (NASH) and cholestasis.
CAS Number
2244440-85-3
Field of Research
Metabolism Research
Smiles
N (C[C@@H]1CC[C@H] (CC1) C2=CC (C) =C (OC) C=C2) (C (=O) [C@@H]3CC[C@@H] (O) CC3) C4=CC (=CC=C4) C5=CN (N=C5) C6CC6
Molecular Formula
C34H43N3O3
Molecular Weight
541.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Omesdafexor
CAS Number2244440-85-3
PubChem CID135329968
IUPAC NameN-[3-(1-cyclopropylpyrazol-4-yl)phenyl]-4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
Molecular FormulaC34H43N3O3
Molecular Weight541.7
XLogP6.1
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity819
SMILES
CC1=C(C=CC(=C1)C2CCC(CC2)CN(C3=CC=CC(=C3)C4=CN(N=C4)C5CC5)C(=O)C6CCC(CC6)O)OC
InChI
InChI=1S/C34H43N3O3/c1-23-18-28(12-17-33(23)40-2)25-8-6-24(7-9-25)21-36(34(39)26-10-15-32(38)16-11-26)31-5-3-4-27(19-31)29-20-35-37(22-29)30-13-14-30/h3-5,12,17-20,22,24-26,30,32,38H,6-11,13-16,21H2,1-2H3
InChIKey
RPBNLMPTFCTXRQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Omesdafexor
CAS: 2244440-85-3
CID: 135329968
Formula: C34H43N3O3
MW: 541.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight541.7
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass541.33044224
Monoisotopic Mass541.33044224
Topological Polar Surface Area67.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T63818-01Omesdafexor

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