GW 409544
Basic information
- CAS
258345-41-4- Standard SMILES
C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)O- InChIKey
GGUVRMBIEPYOKL-WMVCGJOFSA-N- Molecular formula
- C31H30N2O5
- Average molar mass
- 510.6 g/mol
- Monoisotopic mass
- 510.21547206
Overview
GW 409544 is a monocarboxylic acid.
Names & identifiers
- Preferred name
- GW 409544
- IUPAC
- (2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid
- English name
- GW 409544
- Molecular formula
- C31H30N2O5
- Molecular weight
- 510.58
Names & synonyms
258345-41-4GW409544GW 409544GW-409544GW-409544XGW-9544L0LT4RER76(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acidDTXSID401318644L-Tyrosine, N-((1Z)-1-methyl-3-oxo-3-phenyl-1-propen-1-yl)-O-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-(2S)-3-(4-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)phenyl)-2-(((Z)-4-oxo-4-phenylbut-2-en-2-yl)amino)propanoic acidL-Tyrosine, N-[(1Z)-1-methyl-3-oxo-3-phenyl-1-propen-1-yl]-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-
Show more names
RefChem:922621DTXCID201748447CHEMBL410478L-Tyrosine, N-((1Z)-1-methyl-3-oxo-3-phenyl-1-propenyl)-O-(2-(5-methyl-2-phenyl-4-oxazolyl)ethyl)-CHEBI:79990(S,Z)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-((4-oxo-4-phenylbut-2-en-2-yl)amino)propanoic acidUNII-L0LT4RER76GW 9544
Database identifiers
- CAS
258345-41-4
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 781
Physicochemical properties
- Boiling point
- 727.2 · 727.2±70.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 2.17 · 2.17±0.16(Predicted)
- FDA UNII
- 0 LT4RER76 · L0LT4RER76
Chemistry & industry
Applications
UsesGW409544 is a potent PPARα and PPARγ activator, with EC50 values of 2.3 nM and 0.28 nM for PPARα and PPARγ, respectively. GW409544 can be used for the research of metabolic and cardiovascular diseases[1].
Additional notes
DefinitionChEBI: GW 409544 is a monocarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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