Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives

A series of novel pyrazole amide derivatives were designed and synthesized by multi-step reactions from phenylhydrazine and ethyl 3-oxobutanoate as starting materials, and their structures were characterized by NMR, MS and elemental analysis. The antifungal activity of the title compounds was determ...

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Autores principales: Mu, Jin-Xia, Shi, Yan-Xia, Yang, Ming-Yan, Sun, Zhao-Hui, Liu, Xing-Hai, Li, Bao-Ju, Sun, Na-Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274113/
https://www.ncbi.nlm.nih.gov/pubmed/26760990
http://dx.doi.org/10.3390/molecules21010068
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author Mu, Jin-Xia
Shi, Yan-Xia
Yang, Ming-Yan
Sun, Zhao-Hui
Liu, Xing-Hai
Li, Bao-Ju
Sun, Na-Bo
author_facet Mu, Jin-Xia
Shi, Yan-Xia
Yang, Ming-Yan
Sun, Zhao-Hui
Liu, Xing-Hai
Li, Bao-Ju
Sun, Na-Bo
author_sort Mu, Jin-Xia
collection PubMed
description A series of novel pyrazole amide derivatives were designed and synthesized by multi-step reactions from phenylhydrazine and ethyl 3-oxobutanoate as starting materials, and their structures were characterized by NMR, MS and elemental analysis. The antifungal activity of the title compounds was determined. The results indicated that some of title compounds exhibited moderate antifungal activity. Furthermore, DFT calculations were used to study the structure-activity relationships (SAR).
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spelling pubmed-62741132018-12-28 Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives Mu, Jin-Xia Shi, Yan-Xia Yang, Ming-Yan Sun, Zhao-Hui Liu, Xing-Hai Li, Bao-Ju Sun, Na-Bo Molecules Article A series of novel pyrazole amide derivatives were designed and synthesized by multi-step reactions from phenylhydrazine and ethyl 3-oxobutanoate as starting materials, and their structures were characterized by NMR, MS and elemental analysis. The antifungal activity of the title compounds was determined. The results indicated that some of title compounds exhibited moderate antifungal activity. Furthermore, DFT calculations were used to study the structure-activity relationships (SAR). MDPI 2016-01-08 /pmc/articles/PMC6274113/ /pubmed/26760990 http://dx.doi.org/10.3390/molecules21010068 Text en © 2016 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons by Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Mu, Jin-Xia
Shi, Yan-Xia
Yang, Ming-Yan
Sun, Zhao-Hui
Liu, Xing-Hai
Li, Bao-Ju
Sun, Na-Bo
Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title_full Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title_fullStr Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title_full_unstemmed Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title_short Design, Synthesis, DFT Study and Antifungal Activity of Pyrazolecarboxamide Derivatives
title_sort design, synthesis, dft study and antifungal activity of pyrazolecarboxamide derivatives
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6274113/
https://www.ncbi.nlm.nih.gov/pubmed/26760990
http://dx.doi.org/10.3390/molecules21010068
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