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CLX-0921

CAT: 0804-HY-19394Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-19394Size:1 Each
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Description
CLX-0921 is an orally active PPARγ agonist with an IC50 of 1.54 μM. CLX-0921 has a potent antihyperglycemic activity, and can be used for the study of type 2 diabetes[1].
CAS Number
249886-47-3
UNSPSC
12352005
Target
PPAR
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/clx-0921.html
Smiles
O=C(OC)/C(C1=CC=C(OC2=CC=C(CC(SC(N3)=O)C3=O)C=C2)C=C1)=C/C4=CC(OC)=CC(OC)=C4
Molecular Formula
C28H25NO7S
Molecular Weight
519.57
References & Citations
[1]Debendranath Dey, et al. A novel peroxisome proliferator-activated gamma (PPAR gamma) agonist, CLX-0921, has potent antihyperglycemic activity with low adipogenic potential. Metabolism. 2003 Aug;52 (8) :1012-8.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
PPARγ

Chemical Information

Thr-0921

CLX-0921 is investigated for use/treatment in diabetes mellitus type 2. CLX-0921 is a solid. CLX-0921 has a spectrum of activity that differs from commercially available thiazolidinediones. This substance targets the protein peroxisome proliferator-activated receptor gamma. It is a pharmacologically active antihyperglycemic agent that acts by increasing peripheral tissue sensitivity to insulin.

CAS Number249886-47-3
PubChem CID9958278
IUPAC Namemethyl (E)-3-(3,5-dimethoxyphenyl)-2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]phenyl]prop-2-enoate
Molecular FormulaC28H25NO7S
Molecular Weight519.6
XLogP5.4
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity820
SMILES
COC1=CC(=CC(=C1)/C=C(\C2=CC=C(C=C2)OC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)/C(=O)OC)OC
InChI
InChI=1S/C28H25NO7S/c1-33-22-12-18(13-23(16-22)34-2)14-24(27(31)35-3)19-6-10-21(11-7-19)36-20-8-4-17(5-9-20)15-25-26(30)29-28(32)37-25/h4-14,16,25H,15H2,1-3H3,(H,29,30,32)/b24-14+
InChIKey
IVAQJHSXBVHUQT-ZVHZXABRSA-N
Chemical Structure
2D Structure
2D structure of Thr-0921
CAS: 249886-47-3
CID: 9958278
Formula: C28H25NO7S
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass519.13517331
Monoisotopic Mass519.13517331
Topological Polar Surface Area125 Ų
Heavy Atom Count37
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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