Basic information
- CAS
250601-04-8- Standard SMILES
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1- InChIKey
ULVDFHLHKNJICZ-QCWLDUFUSA-N- Molecular formula
- C28H26N2O5
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.18417193
Overview
Imiglitazar has been used in trials studying the treatment of Diabetes Mellitus.
Names & identifiers
- Preferred name
- Imiglitazar
- IUPAC
- (4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acid
- English name
- Imiglitazar
- Molecular formula
- C28H26N2O5
- Molecular weight
- 470.53
Names & synonyms
Imiglitazar250601-04-8TAK-559(4E)-4-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-4-phenylbutanoic acidDTXSID008702807244710F59(4E)-4-[({4-[(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)METHOXY]PHENYL}METHOXY)IMINO]-4-PHENYLBUTANOIC ACID(4E)-4-(((4-((5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy)phenyl)methoxy)imino)-4-phenylbutanoic acid(4E)-4-((4-((5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy)phenyl)methoxyimino)-4-phenylbutanoic acidIMIGLITAZARUMRefChem:148004DTXCID50910943
Show more names
Benzenebutanoic acid, γ-[[[4-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]phenyl]methoxy]imino]-, (γE)-
Imiglitazar [INN]CHEMBL592054(E)-4-(((4-((5-Methyl-2-phenyloxazol-4-yl)methoxy)benzyl)oxy)imino)-4-phenylbutanoic acidTAK 559Benzenebutanoic acid, gamma-(((4-((5-methyl-2-phenyl-4-oxazolyl)methoxy)phenyl)methoxy)imino)-, (gammaE)-Benzenebutanoic acid, gamma-[[[4-[(5-methyl-2-phenyl-4-oxazolyl)methoxy]phenyl]methoxy]imino]-, (gammaE)-UNII-7244710F59SCHEMBL297183
Database identifiers
- CAS
250601-04-8- PubChem CID
- 9890879
- DTXSID
DTXSID00870280- ChEMBL
CHEMBL592054- UNII
- 7244710F59
- Nikkaji
- J1.852.412K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 679.9 · 679.9±65.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 4.17 · 4.17±0.10(Predicted)
- FDA UNII
- 7244710 F59 · 7244710F59
Chemistry & industry
Applications
UsesImiglitazar (TAK559) is a potent and dual human PPARα and PPARγ1 agonist with EC50 values of 67 and 31 nM.
Suppliers7 total
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
18 records
Compound notes
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