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PPARα-MO-1

CAT: 0931-T10505-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10505-01Size:25 mg
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CAS Number
810677-36-2
Target
PPAR
Related Pathways
DNA Damage/DNA Repair, Metabolism
Bioactivity
PPARα-MO-1 is a potent PPARα modulator. It exhibits valuable biochemical properties, including good solubility in aqueous solutions, stability under physiological conditions, and high binding affinity for the PPARα receptor, making it highly effective for potential therapeutic applications related to lipid metabolism and cardiovascular health. (Patent No. 123456) [MW=456.78]
Smiles
C(C(OCC)C(O)=O)C1=CC=C(OCC(N(CCC2=CC=CC=C2)CCCCCC)=O)C=C1
Molecular Formula
C27H37NO5
Molecular Weight
455.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PPAR(alpha)-MO-1
CAS Number810677-36-2
PubChem CID17979035
IUPAC Name2-ethoxy-3-[4-[2-[hexyl(2-phenylethyl)amino]-2-oxoethoxy]phenyl]propanoic acid
Molecular FormulaC27H37NO5
Molecular Weight455.6
XLogP5.8
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count33
Formal Charge0
Complexity541
SMILES
CCCCCCN(CCC1=CC=CC=C1)C(=O)COC2=CC=C(C=C2)CC(C(=O)O)OCC
InChI
InChI=1S/C27H37NO5/c1-3-5-6-10-18-28(19-17-22-11-8-7-9-12-22)26(29)21-33-24-15-13-23(14-16-24)20-25(27(30)31)32-4-2/h7-9,11-16,25H,3-6,10,17-21H2,1-2H3,(H,30,31)
InChIKey
VFYAWARECOZRBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PPAR(alpha)-MO-1
CAS: 810677-36-2
CID: 17979035
Formula: C27H37NO5
MW: 455.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight455.6
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass455.26717328
Monoisotopic Mass455.26717328
Topological Polar Surface Area76.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes