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CAY10592

CAT: 0931-T35813-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T35813-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
685139-10-0
Target
Others
Related Pathways
Others
Bioactivity
Peroxisome proliferator-activated receptors (PPARs) α, δ, γ are ligand-activated nuclear transcription factors involved in the regulation of energy homeostasis as well as insulin sensitivity and glucose metabolism. Pharmacologies of PPARδ receptor agonists, though relatively obscure, have recently been reported to elevate high-density lipoprotein (HDL) cholesterol and lower plasma triglyceride (TG) levels in obese insulin resistant rhesus monkeys. CAY10592 is a full PPARδ agonist (EC50 = 30 nM) in a fatty acid oxidation assay of rat L6 muscle cells with desirable oral pharmacokinetic properties. In a transactivation assay using human PPAR receptors, CAY10592 acts as a selective partial PPARδ agonist (EC50 = 53 nM) with no effect on PPARα or PPARγ activity up to 30 μM. Chronic treatment of high fat fed ApoB100/CETP-transgenic mice with CAY10592 at a dose of 20 mg/kg increases HDL levels, decreases LDL and TG levels, and improves insulin sensitivity.
Smiles
C(=CCSC1=CC(Cl)=C(OCC(O)=O)C=C1)(C2=CC=C(Br)C=C2)C3=CC=C(Br)C=C3
Molecular Formula
C23H17Br2ClO3S
Molecular Weight
568.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

{4-[3,3-Bis-(4-bromo-phenyl)-allylsulfanyl]-2-chloro-phenoxy}-acetic acid
CAS Number685139-10-0
PubChem CID10053715
IUPAC Name2-[4-[3,3-bis(4-bromophenyl)prop-2-enylsulfanyl]-2-chlorophenoxy]acetic acid
Molecular FormulaC23H17Br2ClO3S
Molecular Weight568.7
XLogP8.1
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity551
SMILES
C1=CC(=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Cl)C3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C23H17Br2ClO3S/c24-17-5-1-15(2-6-17)20(16-3-7-18(25)8-4-16)11-12-30-19-9-10-22(21(26)13-19)29-14-23(27)28/h1-11,13H,12,14H2,(H,27,28)
InChIKey
NQIYGYDPRBEUAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {4-[3,3-Bis-(4-bromo-phenyl)-allylsulfanyl]-2-chloro-phenoxy}-acetic acid
CAS: 685139-10-0
CID: 10053715
Formula: C23H17Br2ClO3S
MW: 568.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass567.89332
Monoisotopic Mass565.89537
Topological Polar Surface Area71.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity551
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
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