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AVE-8134

CAT: 0931-T14356-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T14356-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
304025-09-0
Target
PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair
Bioactivity
AVE-8134 is an agonist of PPARα. For human and rodent PPARα receptor, the EC50 values are 100 and 3000 nM, respectively.
Smiles
C(OCCCOCC1=C(C(O)=O)C(C)=CC=C1)C=2N=C(OC2)C3=CC=CC=C3
Molecular Formula
C22H23NO5
Molecular Weight
381.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ave-8134
CAS Number304025-09-0
PubChem CID11625114
IUPAC Name2-methyl-6-[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]propoxymethyl]benzoic acid
Molecular FormulaC22H23NO5
Molecular Weight381.4
XLogP3.3
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity468
SMILES
CC1=C(C(=CC=C1)COCCCOCC2=COC(=N2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H23NO5/c1-16-7-5-10-18(20(16)22(24)25)13-26-11-6-12-27-14-19-15-28-21(23-19)17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3,(H,24,25)
InChIKey
WLHOBCUVPMOXAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ave-8134
CAS: 304025-09-0
CID: 11625114
Formula: C22H23NO5
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass381.15762283
Monoisotopic Mass381.15762283
Topological Polar Surface Area81.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity468
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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MBS3845195-01AVE-3085
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