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

Nieto Gómez, Carla Isabel, Cabildo Miranda, María del Pilar, Cornago, María del Pilar, Sanz, D., Claramunt, R. M., Alkorta, I., Elguero, J., Garcia, J. A., Lopez, A. y Acuna-Castroviejo, D. . (2015) Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids. Journal of Molecular Structure

Ficheros (Some files may be inaccessible until you login with your e-spacio credentials)
Nombre Descripción Tipo MIME Size
NIETO_G__MEZ_CARLA_ISABEL_2015_Synthesis.pdf NIETO_GÓMEZ_CARLA_ISABEL_2015_Synthesis.pdf Click to show the corresponding preview/stream application/pdf; 1.10MB

Título Synthesis, structure and biological activity of 3(5)-trifluoromethyl-1H-pyrazoles derived from hemicurcuminoids
Autor(es) Nieto Gómez, Carla Isabel
Cabildo Miranda, María del Pilar
Cornago, María del Pilar
Sanz, D.
Claramunt, R. M.
Alkorta, I.
Elguero, J.
Garcia, J. A.
Lopez, A.
Acuna-Castroviejo, D.
Materia(s) Química
Abstract Six 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%.
Palabras clave Fluorinated pyrazoles
Synthesis
1H, 13C, 19F, 15N NMR
GIAO calculations
Tautomerism
NOS inhibition
Editor(es) Elsevier
Fecha 2015-11-14
Formato application/pdf
Identificador bibliuned:DptoQOyBO-FCIE-Articulos-Cinieto-0003
http://e-spacio.uned.es/fez/view/bibliuned:DptoQOyBO-FCIE-Articulos-Cinieto-0003
DOI - identifier 10.1016/j.molstruc.2015.07.055
ISSN - identifier 1872-8014
Nombre de la revista Journal of Molecular Structure
Número de Volumen 1100
Página inicial 518
Página final 529
Publicado en la Revista Journal of Molecular Structure
Idioma eng
Versión de la publicación acceptedVersion
Tipo de recurso Article
Derechos de acceso y licencia http://creativecommons.org/licenses/by-nc-nd/4.0
info:eu-repo/semantics/openAccess
Tipo de acceso Acceso abierto
Notas adicionales The registered version of this article, first published in Journal of Molecular Structure, is available online at the publisher's website: Elsevier https://doi.org/10.1016/j.molstruc.2015.07.055
Notas adicionales La versión registrada de este artículo, publicado por primera vez en Journal of Molecular Structure, está disponible en línea en el sitio web del editor: Elsevier https://doi.org/10.1016/j.molstruc.2015.07.055

 
Versiones
Versión Tipo de filtro
Contador de citas: Google Scholar Search Google Scholar
Estadísticas de acceso: 48 Visitas, 5 Descargas  -  Estadísticas en detalle
Creado: Wed, 31 Jan 2024, 23:53:30 CET