117705-86-9

Upstream product

• 4207-54-9 5-chloro-2,2-dimethylpentanenitrile 
• 4460-42-8 1-(5-ethyl-2,4-dihydroxyphenyl)ethanone 
• 2896-60-8 4-ethyl-1,3-benzenediol 

Downstream Products

• 117705-89-2 1-(5-ethyl-2-hydroxy-4-((4-methyl-4-(1H-tetrazol-5-yl)pentyl)oxy)phenyl)ethanone 
• 117705-88-1 5-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylpentanamide 
• 117705-87-0 5-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylpentanoic acid 

Relevant academic research and scientific papers

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists

Compound 1 (IC50 = 35.2 ± 7.2 μM), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the OBn substituent (analog 2b), its activity could be improved to IC50 = 1.1 ± 0.1 μM. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity.

ANTI-INFLAMMATORY AGENTS

This invention provides benzene derivatives, pharmaceutical formulations of those derivatives, and a method of using the derivatives for the treatment of inflammation in mammals.