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Pparδ agonist 7

CAT: 0931-T62205-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62205-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2340432-40-6
Target
PPAR, Others
Related Pathways
Metabolism, Others, DNA Damage/DNA Repair
Bioactivity
Pparδ agonist 7 is a potent agonist of Pparδ, a member of the peroxisome proliferator-activated receptor (PPAR) intranuclear receptor transcription factor superfamily, which regulates metabolic homeostasis, inflammation, cell growth, and differentiation in vivo. [Tubulin aggregation-IN-19]
Smiles
C(/C=C/C1=CC(C)=C(OC(C(O)=O)(C)C)C(C)=C1)(=O)C=2C(OC)=NC3=C(C2)C=CC=C3
Molecular Formula
C25H25NO5
Molecular Weight
419.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

US11261170, Example 5
CAS Number2340432-40-6
PubChem CID142599780
IUPAC Name2-[4-[(E)-3-(2-methoxyquinolin-3-yl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
Molecular FormulaC25H25NO5
Molecular Weight419.5
XLogP5.1
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity663
SMILES
CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)/C=C/C(=O)C2=CC3=CC=CC=C3N=C2OC
InChI
InChI=1S/C25H25NO5/c1-15-12-17(13-16(2)22(15)31-25(3,4)24(28)29)10-11-21(27)19-14-18-8-6-7-9-20(18)26-23(19)30-5/h6-14H,1-5H3,(H,28,29)/b11-10+
InChIKey
WKIFJBLRQMGCTO-ZHACJKMWSA-N
Chemical Structure
2D Structure
2D structure of US11261170, Example 5
CAS: 2340432-40-6
CID: 142599780
Formula: C25H25NO5
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass419.17327290
Monoisotopic Mass419.17327290
Topological Polar Surface Area85.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-173217PPARα agonist 5
HY-119197-01PPARα/γ/δ agonist 1
HY-178958PPAR agonist 7
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