Basic information
- CAS
223132-38-5- Standard SMILES
Cc1cc(Oc2ccc3nc(COc4ccc(CC5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N.Cl- InChIKey
TYQIADLRQRJBLH-UHFFFAOYSA-N- Molecular formula
- C27H27ClN4O4S
- Average molar mass
- 539 g/mol
- Monoisotopic mass
- 538.1441542
Names & identifiers
- Preferred name
- 5-[[4-[[6-(4-Amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
- IUPAC
- 5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
- English name
- CS 7017
- Molecular formula
- C27H28Cl2N4O4S
- Molecular weight
- 575.50662
Names & synonyms
SCHEMBL22607936CS 7017RS5444 dihydrochlorideCS-7017 dihydrochlorideInolitazone (CS-7017) 2HClEfatutazone dihydrochlorideInolitazone (dihydrochloride)Inolitazone (CS-7017) dihydrochlorideEFATUTAZONECS-7017RS5444CS 7017
Show more names
RS 54445-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione5-[[4-[[6-(4-Amino-3,5-dimethylphenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy]phenyl]methyl]-2,4-thiazolidinedione dihydrochloride
Database identifiers
- CAS
223132-38-5- PubChem CID
- 11613548
Properties
Computed structural properties
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 782
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 mg/mL · DMSO : 25 mg/mL (43.44 mM; Need ultrasonic)H2O : < 0.1 mg/mL (insoluble)
- form
- Powder
- color
- Pale purple to purple
- FDA UNII
- 76 B44WEA8O · 76B44WEA8O
- NCI Drug Dictionary
- efatutazone dihydrochloride
Chemistry & industry
Applications
UsesInolitazone dihydrochloride (Efatutazone dihydrochloride) is a novel high-affinity PPARγ agonist that is dependent upon PPARγ for its biological activity with IC50 of 0.8 nM for growth inhibition.
Suppliers23 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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Aladdin Scientific[email protected]
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广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
Related reactions
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Compound notes
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