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PPARγ modulator-1

CAT: 0013-GTR19235644-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235644-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Anticancer agent 183 (example 48) is a high-affinity, non-agonistic PPARγ modulator that blocks its kinase-mediated phosphorylation. This research compound is used in metabolic disease studies to investigate mechanisms with reduced side-effect profiles, applicable in both cellular and animal models of insulin resistance and diabetes.
CAS Number
1415321-54-8
Field of Research
Metabolism Research, Molecular Biology
Smiles
C (N1C=2C (=CC (C (N[C@@H] (C) C3=CC=C (C (C) (C) C) C=C3) =O) =CC2) C (C) =C1C) C4=CC (OC (C (O) =O) (C) C) =CC=C4
Molecular Formula
C34H40N2O4
Molecular Weight
540.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PPAR|A modulator-1
CAS Number1415321-54-8
PubChem CID71075641
IUPAC Name2-[3-[[5-[[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenoxy]-2-methylpropanoic acid
Molecular FormulaC34H40N2O4
Molecular Weight540.7
XLogP7.4
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity874
SMILES
CC1=C(N(C2=C1C=C(C=C2)C(=O)N[C@@H](C)C3=CC=C(C=C3)C(C)(C)C)CC4=CC(=CC=C4)OC(C)(C)C(=O)O)C
InChI
InChI=1S/C34H40N2O4/c1-21-23(3)36(20-24-10-9-11-28(18-24)40-34(7,8)32(38)39)30-17-14-26(19-29(21)30)31(37)35-22(2)25-12-15-27(16-13-25)33(4,5)6/h9-19,22H,20H2,1-8H3,(H,35,37)(H,38,39)/t22-/m0/s1
InChIKey
DLXSTRGKTJFVEB-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of PPAR|A modulator-1
CAS: 1415321-54-8
CID: 71075641
Formula: C34H40N2O4
MW: 540.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass540.29880776
Monoisotopic Mass540.29880776
Topological Polar Surface Area80.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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