2-oxo-N-[3-(trifluoromethyl)phenyl]-2H-chromene-3-carboxamide

An inhibitor of hMAO-B (IC50 = 3.30±0.21 µM)

OTAVAchemicals Catalogue Number: 5030790694

CAS Registry Number: 301196-52-1

Purity: 95%

Ref.: New 2H-chromene-3-carboxamide derivatives: Design, synthesis and use as inhibitors of hMAO. Pan, Z.-X., He, X., Chen, Y.-Y., Tang, W.-J., Shi, J.-B., Tang, Y.-L., Liu, X.-H. Eur. J. Med. Chem., 2014, 80, 278-284. 

Abstract: A series new 2H-chromene-3-carboxamide derivatives 4ae4t were synthesized and evaluated as monoamine oxidase A and B (MAO-A and MAO-B) inhibitors. Among them, compound 4d (IC50 = 0.93 mM, IC50 iproniazid 7.80 mM) showed the most activity and higher MAO-B selectivity (64.5-fold vs. 1-fold) with respect to the MAO-A isoform. The active compound 4d was also docked into the hMAO-B complex structure active site to determine the probable binding model. The results indicated that conserved residue CYSA 172 was important for ligand binding via hydrogen bond interaction, PiePi interaction was found between the benzene-ring of compound 4d and residue ILEA 199.

DOI: 10.1016/j.ejmech.2014.04.060