949580-86-3

Basic information

• Product Name: 1-(2-hydroxy-4,5-dimethoxy-phenyl)-2-(m-tolyl)ethanone
• CAS NO: 949580-86-3
• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32242
• Mol File: 949580-86-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(2-hydroxy-4,5-dimethoxy-phenyl)-2-(m-tolyl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-hydroxy-4,5-dimethoxy-phenyl)-2-(m-tolyl)ethanone(949580-86-3)
• EPA Substance Registry System: 1-(2-hydroxy-4,5-dimethoxy-phenyl)-2-(m-tolyl)ethanone(949580-86-3)

Safety Data

• Hazardous Substances Data: 949580-86-3(Hazardous Substances Data)

Upstream product

• 2947-60-6 3-methylbenzyl cyanide 
• 2033-89-8 3,4-dimethoxyphenol 

Downstream Products

• 949580-67-0 6,7-dimethoxy-3-m-tolylchromen-4-one 
• 949580-80-7 3-(3-bromomethylphenyl)-6,7-dimethoxychromen-4-one 

Relevant articles and documents

Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl] phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives

AP2238 was the first compound published to bind both anionic sites of the human acetylcholinesterase, allowing the simultaneous inhibition of the catalytic and the amyloid-β pro-aggregating activities of AChE. Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule, affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compounds were also tested for their ability to prevent the AChE-induced Aβ-aggregation. Moreover, docking simulations and molecular orbital calculations were performed.