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GW 501516 (CHEBI:73726)

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ChEBI Name GW 501516
ChEBI ID CHEBI:73726
Definition An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula Source
C21H18F3NO3S2 ChEBI
Net Charge 0
Average Mass 453.49800
InChI
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey
YDBLKRPLXZNVNB-UHFFFAOYSA-N
SMILES
Cc1cc(SCc2sc(nc2C)-c2ccc(cc2)C(F)(F)F)ccc1OCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): PPARbeta/delta agonist
A PPAR modulator which activates the peroxisome proliferator-activated receptor-beta/delta.
carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing GW 501516 (CHEBI:73726) has role carcinogenic agent (CHEBI:50903)
GW 501516 (CHEBI:73726) has role PPARβ/δ agonist (CHEBI:73730)
GW 501516 (CHEBI:73726) is a 1,3-thiazole (CHEBI:38418)
GW 501516 (CHEBI:73726) is a aromatic ether (CHEBI:35618)
GW 501516 (CHEBI:73726) is a aryl sulfide (CHEBI:35683)
GW 501516 (CHEBI:73726) is a monocarboxylic acid (CHEBI:25384)
GW 501516 (CHEBI:73726) is a organofluorine compound (CHEBI:37143)
Incoming GW 501516 sulfone (CHEBI:73791) has functional parent GW 501516 (CHEBI:73726)
GW 501516 sulfoxide (CHEBI:73790) has functional parent GW 501516 (CHEBI:73726)
IUPAC Name
{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
Synonyms Sources
Endurobol ChEBI
GSK-516 ChEBI
GW 1516 ChEBI
GW 501,516 ChEBI
GW-1516 ChEBI
GW-501,516 ChEBI
GW-501516 ChemIDplus
GW-516 ChEBI
GW1516 ChEBI
GW501,516 ChEBI
GW501516 ChemIDplus
UNII-7I2HA1NU22 ChemIDplus
Database Link Database
GW_501516 Wikipedia
View more database links
Registry Numbers Types Sources
317318-70-0 CAS Registry Number ChemIDplus
9440826 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
14604391 PubMed citation CiteXplore
14758356 PubMed citation CiteXplore
16242326 PubMed citation CiteXplore
16625823 PubMed citation CiteXplore
18047848 PubMed citation CiteXplore
19946680 PubMed citation CiteXplore
21511987 PubMed citation CiteXplore
22466297 PubMed citation CiteXplore
22814748 PubMed citation CiteXplore
22982594 PubMed citation CiteXplore
23046570 PubMed citation CiteXplore
23100242 PubMed citation CiteXplore
23607100 PubMed citation CiteXplore
Last Modified
30 May 2013

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