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GW6471

CAT: 0931-T8486-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8486-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
880635-03-0
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Purity
0.9988
Bioactivity
GW6471 is an antagonist of PPARα with IC50 of 0.24 μ M. GW6471 enhances the binding affinity of the PPAR α ligand-binding domain to the co-repressor proteins SMRT and NCoR.
Smiles
CCC(=O)NC[C@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)N\C(C)=C/C(=O)c1ccc(cc1)C(F)(F)F
Molecular Formula
C35H36F3N3O4
Molecular Weight
619.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

GW6471

a PPARalpha antagonist; structure in first source

CAS Number880635-03-0
PubChem CID446738
IUPAC NameN-[(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-en-2-yl]amino]propyl]propanamide
Molecular FormulaC35H36F3N3O4
Molecular Weight619.7
XLogP7.9
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count45
Formal Charge0
Complexity954
SMILES
CCC(=O)NC[C@H](CC1=CC=C(C=C1)OCCC2=C(OC(=N2)C3=CC=CC=C3)C)N/C(=C\C(=O)C4=CC=C(C=C4)C(F)(F)F)/C
InChI
InChI=1S/C35H36F3N3O4/c1-4-33(43)39-22-29(40-23(2)20-32(42)26-12-14-28(15-13-26)35(36,37)38)21-25-10-16-30(17-11-25)44-19-18-31-24(3)45-34(41-31)27-8-6-5-7-9-27/h5-17,20,29,40H,4,18-19,21-22H2,1-3H3,(H,39,43)/b23-20-/t29-/m0/s1
InChIKey
TYEFSRMOUXWTDN-DYQICHDWSA-N
Chemical Structure
2D Structure
2D structure of GW6471
CAS: 880635-03-0
CID: 446738
Formula: C35H36F3N3O4
MW: 619.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight619.7
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass619.26579112
Monoisotopic Mass619.26579112
Topological Polar Surface Area93.5 Ų
Heavy Atom Count45
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes