1614257-64-5

Basic information

• Product Name: S-4-bromophenyl 6-nitro-2-oxo-2H-chromene-3-carbothioate
• Synonyms: S-4-bromophenyl 6-nitro-2-oxo-2H-chromene-3-carbothioate
• CAS NO: 1614257-64-5
• Molecular Weight: 406.213
• Mol File: 1614257-64-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: S-4-bromophenyl 6-nitro-2-oxo-2H-chromene-3-carbothioate(CAS DataBase Reference)
• NIST Chemistry Reference: S-4-bromophenyl 6-nitro-2-oxo-2H-chromene-3-carbothioate(1614257-64-5)
• EPA Substance Registry System: S-4-bromophenyl 6-nitro-2-oxo-2H-chromene-3-carbothioate(1614257-64-5)

Safety Data

• Hazardous Substances Data: 1614257-64-5(Hazardous Substances Data)

Upstream product

• 13373-28-9 ethyl 6-nitrobenzo-2-pyrone-3-carboxylate 
• 97-51-8 5-Nitrosalicylaldehyde 
• 71942-48-8 6-nitro-2-oxo-2H-chromene-3-carbonyl chloride 
• 106-53-6 para-bromobenzenethiol 
• 10242-15-6 6-nitro-2-oxo-2H-chromen-3-carboxylic acid 

Relevant articles and documents

New coumarin derivatives: Design, synthesis and use as inhibitors of hMAO

A series new 2H-chromene-3-carboxamides (4a-4i) and S-2H-chromene-3- carbothioates (5j-5t) were synthesized and evaluated as monoamine oxidase A and B inhibitors. Among them, compound 5k (IC50 = 0.21 μM, IC 50 iproniazid = 7.65 μM) showed the most activity and higher MAO-B selectivity (189.2-fold vs 1-fold) with respect to the MAO-A isoform. The need to clarify at a 3D level some important molecular aspects of discussed SAR, we undertaked a number of docking simulations to better assess. The steric effect was analyzed interms of both posing and scoring by investigating the nature of the binding interactions. The docking results of active compound 5k with hMAO-B complex indicated that conserved residue ILE 199 was important for ligand binding via Sigma-Pi interaction.