109650-11-5

Basic information

• Product Name: 3-(benzyl)-6-chloro-7-hydroxy-4-methyl-coumarin
• Synonyms: 3-(benzyl)-6-chloro-7-hydroxy-4-methyl-coumarin;3-benzyl-6-chloro-7-hydroxy-4-methyl-2H-chromen-2-one;6-chloro-7-hydroxy-4-methyl-3-(phenylmethyl)-2-chromenone;6-chloro-7-hydroxy-4-methyl-3-(phenylmethyl)chromen-2-one
• CAS NO: 109650-11-5
• Molecular Formula: C₁₇H₁₃ClO₃
• Molecular Weight: 300.74
• Mol File: 109650-11-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 493.2±45.0 °C(Predicted)
• Appearance: /
• Density: 1.356±0.06 g/cm3(Predicted)
• PKA: 6.67±0.20(Predicted)
• CAS DataBase Reference: 3-(benzyl)-6-chloro-7-hydroxy-4-methyl-coumarin(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(benzyl)-6-chloro-7-hydroxy-4-methyl-coumarin(109650-11-5)
• EPA Substance Registry System: 3-(benzyl)-6-chloro-7-hydroxy-4-methyl-coumarin(109650-11-5)

Safety Data

• Hazardous Substances Data: 109650-11-5(Hazardous Substances Data)

Upstream product

• 95-88-5 4-Chlororesorcinol 
• 620-79-1 Ethyl 2-benzylacetoacetate 
• 100-39-0 benzyl bromide 

Downstream Products

• 780790-54-7 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzenesulfonate 
• 1428238-88-3 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl propionate 
• 1428239-04-6 3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl acetate 

Relevant articles and documents

Substituted 3-benzylcoumarins as allosteric MEK1 inhibitors: Design, synthesis and biological evaluation as antiviral agents

In order to find novel antiviral agents, a series of allosteric MEK1 inhibitors were designed and synthesized. Based on docking results, multiple optimizations were made on the coumarin scaffold. Some of the derivatives showed excellent MEK1 binding affinity in the appropriate enzymatic assays and displayed obvious inhibitory effects on the ERK pathway in a cellular assay. These compounds also significantly inhibited virus (EV71) replication in HEK293 and RD cells. Several compounds showed potential as agents for the treatment of viral infective diseases, with the most potent compound 18 showing an IC 50 value of 54.57 nM in the MEK1 binding assay.