317318-70-0
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
Molecular Identity
317318-70-0
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid
PubChem CID: 9803963
GW 501516 is 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. It has a role as a carcinogenic agent and a PPARbeta/delta agonist. It is a monocarboxylic acid, an aromatic ether, an aryl sulfide, an organofluorine compound and a member of 1,3-thiazoles.
2D Structure
Properties
C21H18F3NO3S2
Molecular Formula
453.50
Molecular Weight
g/mol
453.0680
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
113
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
572
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
317318-70-0EndurobolGW 501516GW501516GW-501516GSK-516GW1516GW-15167I2HA1NU222-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)sulfanyl]phenoxy}acetic acidDTXSID3041037CHEBI:73726(2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazol-5-yl)methyl)sulfanyl)phenoxy)acetic acid2-(2-methyl-4-((4-methyl-2-(4-(trifluoromethyl)phenyl)-1,3-thiazol-5-yl)methylsulfanyl)phenoxy)acetic acid
Data from PubChem (NCBI)
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