乙基-2-氨基-1-（己基酰胺）-4-氧-5-（2-氧-2-苯乙基）-4,5-二氢- 1h -吡咯-3-羧酸酯的合成、抗氧化活性研究及其电子参数的量子化学估计

IF 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2024-12-27 DOI:10.1134/S0022476624120011

M. G. Ilyina, M. V. Shustov, N. M. Igidov, E. M. Khamitov, S. S. Borisevich, S. S. Zykova

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引用次数: 0

摘要

合成了乙基-2-氨基-1-（己基酰胺）-4-氧-5-（2-氧-2-苯乙基）-4,5-二氢- 1h -吡咯-3-羧酸酯，研究了它们的抗自由基和抗氧化活性，并进行了量子化学计算。发现衍生物中吡啶部分的氮原子位置改变了合成化合物的毒性并影响了结合自由基的能力。该结果有助于进一步确定所考虑的生物活性类型的构效关系。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Synthesis of Ethyl-2-Amino-1-(hetarylamido)-4-oxo-5-(2-oxo-2-phenylethylidene)-4,5-Dihydro-1H-Pyrrole-3-Carboxylates, the Study of their Antioxidant Activity, and the Ouantum Chemical Estimation of their Electronic Parameters

查看原文本刊更多论文

Ethyl-2-amino-1-(hetarylamido)-4-oxo-5-(2-oxo-2-phenylethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylates are synthesized, their antiradical and antioxidant activities are studied, and the quantum chemical calculations are performed. The nitrogen atom position in the pyridine moiety of the derivatives is found to change the toxicity of synthesized compounds and to affect the ability to bind free radicals. The results can facilitate the further determination of the structure – activity relationship in the considered types of the biological activity.

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.