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Título

Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids

AutorNieto, Carla I.; Cabildo, M. Pilar; Cornago, M. P.; Sanz, D.; Claramunt, Rosa M.; Alkorta, Ibon ; Elguero, José ; García, J. A.; López, Ana; Acuña-Castroviejo, D.
Fecha de publicación2015
EditorElsevier
CitaciónJournal of Molecular Structure 1100: 518-529 (2015)
ResumenSix new 3(5)-trifluoromethyl-5(3)-substituted-styryl-1H-pyrazoles have been synthesized and their tautomerism studied in solution and in the solid state. The determination of their structures has been based on multinuclear NMR spectroscopy together with GIAO/B3LYP/6-311++G(d,p) theoretical calculations of eight structures for each pyrazole (two tautomers and four conformations). Five out of the six compounds present inhibition percentages of the iNOS isoform higher than 50%. With regard to the nNOS inhibitory activity, only two of the studied compounds show an inhibition of about 50%. Finally, concerning the eNOS, there is a compound presenting a low percentage of inhibition (40.2%) attaining in the other cases 50%.
Versión del editorhttp://dx.doi.org/10.1016/j.molstruc.2015.07.055
URIhttp://hdl.handle.net/10261/126322
DOI10.1016/j.molstruc.2015.07.055
Identificadoresdoi: 10.1016/j.molstruc.2015.07.055
issn: 0022-2860
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