CHEBI:73726 - GW 501516

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ChEBI Name GW 501516
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.
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Formula C21H18F3NO3S2
Net Charge 0
Average Mass 453.49800
Monoisotopic Mass 453.068
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)
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.
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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-thiazoles (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)
{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acid
Synonyms Sources
Endurobol 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
Manual Xrefs Databases
GW_501516 Wikipedia
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Registry Numbers Types Sources
317318-70-0 CAS Registry Number ChemIDplus
9440826 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
25 February 2016