CAY10573

CAT: 0931-T37829-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T37829-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

853652-40-1

Target

PPAR, Others

Related Pathways

Others, DNA Damage/DNA Repair, Metabolism

Bioactivity

The peroxisome proliferator-activated receptors (PPARs) are lipid-activated transcription factors often used as drug targets for the treatment of metabolic disorders. CAY10573 is a PPAR agonist that displays potent binding at PPARα, γ, and δ with IC50 values of 113, 50, and 223 nM, respectively. It potently transactivates PPARα, γ, and δ with EC50 values of 8, 70, and 500 nM, respectively. CAY10573 demonstrates stronger binding and functional activity for PPARγ than the antidiabetic compound rosiglitazone (IC50 = 92 nM; EC50 = 220 nM) .

Smiles

C(CC)C=1C2=C(C=C(C(=O)C3=CC=CC=C3)C=C2)C=CC1OCCCOC=4C=C5C(=CC4)N(CC(O)=O)C=C5

Molecular Formula

C33H31NO5

Molecular Weight

521.6

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-yl}ethanoic acid

CAS Number	853652-40-1
PubChem CID	6102812
IUPAC Name	2-[5-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid
Molecular Formula	C33H31NO5
Molecular Weight	521.6
XLogP	7.6
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Heavy Atom Count	39
Formal Charge	0
Complexity	797

SMILES

CCCC1=C(C=CC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3)OCCCOC4=CC5=C(C=C4)N(C=C5)CC(=O)O

InChI

InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)

InChIKey

ZXWVCCFKIRBLDP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 853652-40-1

CID: 6102812

Formula: C33H31NO5

MW: 521.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	521.6
XLogP3	7.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	521.22022309
Monoisotopic Mass	521.22022309
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GTR19190427-01	CAY10573

CAY10573

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