| Identification | Back Directory | [Name]
Ethanone, 1-[4-[3-(1,1-dimethylethyl)-4-hydroxyphenoxy]phenyl]- | [CAS]
2735803-28-6 | [Synonyms]
DS45500853
Ethanone, 1-[4-[3-(1,1-dimethylethyl)-4-hydroxyphenoxy]phenyl]- | [Molecular Formula]
C18H20O3 | [MOL File]
2735803-28-6.mol | [Molecular Weight]
284.35 |
| Chemical Properties | Back Directory | [Boiling point ]
412.8±45.0 °C(Predicted) | [density ]
1.107±0.06 g/cm3(Predicted) | [solubility ]
DMSO : 50 mg/mL (175.84 mM; ultrasonic and warming and heat to 60°C) | [form ]
Solid | [pka]
11.23±0.20(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Biological Activity]
DS45500853 is an estrogen-related receptor α (ERRα) agonist. DS45500853 inhibits the binding between receptor-interacting protein 140 (RIP140) corepressor peptide (10 nM) and GST-ERRα ligand-binding domain (LBD; 1.2 μM) with an IC50 value of 0.80 μM. DS45500853 can be used for the research of metabolic disorders, including type 2 diabetes mellitus (T2DM)[1].
DS45500853 (compound 5c; 0.002, 0.006, 0.017, 0.051, 0.015, 0.046, 1.4, 4.2, 12.5 μg/mL; 18 h) inhibits the transcriptional activity of full-length ERRα in MG63 cells with an EC50 of 5.4 μM[1].DS45500853 binds in the ligand-binding pocket (LBP) of the ERRα LBD as inverse agonist II[1]. | [References]
[1]. Shinozuka T, et al. Discovery of a Novel Class of ERRα Agonists. ACS Med Chem Lett. 2021 Apr 21;12(5):817-821. |
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