916829-03-3

Basic information

• Product Name: (E)-7-methoxy-3-(3-(4-methoxyphenyl)acryloyl)-2H-chromen-2-one
• Synonyms: (E)-7-methoxy-3-(3-(4-methoxyphenyl)acryloyl)-2H-chromen-2-one
• CAS NO: 916829-03-3
• Molecular Weight: 336.344
• Mol File: 916829-03-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (E)-7-methoxy-3-(3-(4-methoxyphenyl)acryloyl)-2H-chromen-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-7-methoxy-3-(3-(4-methoxyphenyl)acryloyl)-2H-chromen-2-one(916829-03-3)
• EPA Substance Registry System: (E)-7-methoxy-3-(3-(4-methoxyphenyl)acryloyl)-2H-chromen-2-one(916829-03-3)

Safety Data

• Hazardous Substances Data: 916829-03-3(Hazardous Substances Data)

Upstream product

• 95-01-2 2,4-Dihydroxybenzaldehyde 
• 10441-27-7 3-acetyl-7-hydroxy-chromen-2-one 
• 108-46-3 recorcinol 
• 64267-19-2 3-acetyl-7-methoxycoumarin 
• 123-11-5 4-methoxy-benzaldehyde 

Relevant articles and documents

Coumarin-chalcone hybrids as inhibitors of MAO-B: Biological activity and in silico studies

Fourteen coumarin-derived compounds modified at the C3 carbon of coumarin with an α,β-unsaturated ketone were synthesized. These compounds may be designated as chalcocoumarins (3-cinnamoyl-2H-chromen-2-ones). Both chalcones and coumarins are recognized scaffolds in medicinal chemistry, showing diverse biological and pharmacological properties among which neuro-protective activities and multiple enzyme inhibition, including mitochondrial enzyme systems, stand out. The evaluation of monoamine oxidase B (MAO-B) inhibitors has aroused considerable interest as therapeutic agents for neurodegenerative diseases such as Parkinson’s. Of the fourteen chalcocumarins evaluated here against MAO-B, ChC4 showed the strongest activity in vitro, with IC50 = 0.76 ± 0.08 μM. Computational docking, molecular dynamics and MM/GBSA studies, confirm that ChC4 binds very stably to the active rMAO-B site, explaining the experimental inhibition data.