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Pirinixic acid (Standard)

CAT: 0804-HY-16995R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16995R-01Size:5 mg
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Description
Pirinixic acid (Standard) is the analytical standard of Pirinixic acid. This product is intended for research and analytical applications. Pirinixic acid (Wy-14643) is a potent agonist of PPARα, with EC50s of 0.63 μM, 32 μM for murine PPARα and PPARγ, and 5.0 μM, 60 μM, 35 μM for human PPARα, PPARγ and PPARδ, respectively.
CAS Number
50892-23-4
UNSPSC
12352100
Target
PPAR; Reference Standards
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Others; Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease; Inflammation/Immunology
Smiles
O=C(O)CSC1=NC(NC2=CC=CC(C)=C2C)=CC(Cl)=N1
Molecular Formula
C14H14ClN3O2S
Molecular Weight
323.80
References & Citations
[1]Willson TM, et al. The PPARs: from orphan receptors to drug discovery. J Med Chem. 2000 Feb 24;43 (4) :527-50.|[2]Huang D, et al. PPAR-α Agonist WY-14643 Inhibits LPS-Induced Inflammation in Synovial Fibroblasts via NF-kB Pathway. J Mol Neurosci. 2016 Aug;59 (4) :544-53.|[3]Pantazi E, et al. PPARα Agonist WY-14643 Induces SIRT1 Activity in Rat Fatty Liver Ischemia-Reperfusion Injury. Biomed Res Int. 2015;2015:894679.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Pirinixic Acid

Pirinixic acid is an aryl sulfide, an organochlorine compound and a member of pyrimidines. It is functionally related to an acetic acid.

CAS Number50892-23-4
PubChem CID5694
IUPAC Name2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.8
XLogP4.2
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity361
SMILES
CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
InChI
InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
InChIKey
SZRPDCCEHVWOJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pirinixic Acid
CAS: 50892-23-4
CID: 5694
Formula: C14H14ClN3O2S
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.8
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass323.0495256
Monoisotopic Mass323.0495256
Topological Polar Surface Area100 Ų
Heavy Atom Count21
Formal Charge0
Complexity361
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
BUP15692-01Pirinixic Acid
C4100-5Pirinixic Acid Aminothiazole
C18098WY-14643 (Pirinixic Acid)
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A12360-25Pirinixic acid (WY 14643) 25mg
A12360-1000Pirinixic acid (WY 14643) 1g

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