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CHEBI:70778 - GW 7647

ChEBI IDCHEBI:70778
ChEBI NameGW 7647
Stars
DefinitionA monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.
Last Modified25 February 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H46N2O3S
Net Charge0
Average Mass502.765
Monoisotopic Mass502.32291
SMILESCC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(=O)O
InChIInChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33)
InChIKeyPKNYXWMTHFMHKD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
PPARalpha agonist  A PPAR modulator which activates the peroxisome proliferator-activated receptor-α.
ChEBI Ontology
Outgoing Relation(s)
GW 7647 (CHEBI:70778) has role PPARα agonist (CHEBI:70782)
GW 7647 (CHEBI:70778) is a aryl sulfide (CHEBI:35683)
GW 7647 (CHEBI:70778) is a monocarboxylic acid (CHEBI:25384)
GW 7647 (CHEBI:70778) is a ureas (CHEBI:47857)
IUPAC Name 
2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid
Synonyms  Source
GW-7647ChEBI
2-({4-{2-{{(cyclohexylamino)carbonyl}(4-cyclohexylbutyl)amino}ethyl}phenyl}thio)-2-methylpropanoic acidChEBI
2-((4-(2-(1-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acidChEBI
2-(4-(2-(1-(4-cyclohexylbutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acidChEBI
2-(4-(2-(1-(cyclohexanebutyl)-3-cyclohexylureido)ethyl)phenylthio)-2-methylpropionic acidChEBI
2-[[4-[2-[[(cyclohexylamino)carbonyl](4-cyclohexylbutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acidChEBI
Manual XrefsDatabases
C15622KEGG COMPOUND
LSM-4172LINCS
Registry NumbersSources
Reaxys:8955332Reaxys
CAS:265129-71-3ChemIDplus
CAS:265129-71-3KEGG COMPOUND
Citations