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CAY10506

CAT: 0013-GTR19190429Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190429Size:10 mg
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Description
CAY10506 is a synthetic hybrid molecule combining thiazolidinedione and α-lipoic acid pharmacophores, functioning as a PPARγ agonist with an EC50 of 10 μM. It serves as a research tool for studying PPARγ-mediated pathways in glucose and lipid metabolism, applicable in both cellular and animal models of metabolic disease.
CAS Number
292615-75-9
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Smiles
C (C1=CC=C (OCCNC (CCCCC2CCSS2) =O) C=C1) C3SC (=O) NC3=O
Molecular Formula
C20H26N2O4S3
Molecular Weight
454.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cay10506

a PPARgamma ligand; structure in first source

CAS Number292615-75-9
PubChem CID9955612
IUPAC NameN-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-5-(dithiolan-3-yl)pentanamide
Molecular FormulaC20H26N2O4S3
Molecular Weight454.6
XLogP3.2
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity570
SMILES
C1CSSC1CCCCC(=O)NCCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C20H26N2O4S3/c23-18(4-2-1-3-16-9-12-27-29-16)21-10-11-26-15-7-5-14(6-8-15)13-17-19(24)22-20(25)28-17/h5-8,16-17H,1-4,9-13H2,(H,21,23)(H,22,24,25)
InChIKey
VDWFJOXRKJFJMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cay10506
CAS: 292615-75-9
CID: 9955612
Formula: C20H26N2O4S3
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass454.10547084
Monoisotopic Mass454.10547084
Topological Polar Surface Area160 Ų
Heavy Atom Count29
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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