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基于方沸石的固体酸纳米催化剂存在下一些[1,3]恶嗪衍生物的高效合成及其对乳腺癌活性的分子对接计算研究。

Efficient synthesis of some [1,3]-oxazine derivatives in the presence of solid acid nano catalyst based on ferrierite and study on their activity against breast cancer through molecular docking calculation.

机构信息

Department of Organic Chemistry, Faculty of Chemistry, University of Kashan, P.O. Box 8731753153, Kashan, Iran.

出版信息

Sci Rep. 2024 Jul 13;14(1):16211. doi: 10.1038/s41598-024-67292-3.

Abstract

In this research, the magnetic solid acid nanocatalyst based on ferrierite has been prepared and used as catalyst for the green synthesis of some [1,3]-oxazine derivatives in water at room temperature. The synthesized compounds were obtained in high to excellent yields after short reaction times and the structure of synthesized products were investigated by spectroscopic methods such as: FT-IR, H NMR and C NMR. The prepared magnetic solid acid catalyst was characterized using XRD, FT-IR, FE-SEM, EDX, elemental mapping, TGA and VSM analysis methods. Magnetic catalyst has easy separation ability, which leads to better and easier recycling. The preparation and synthesis of [1,3]-oxazine derivatives were carried out at room temperature in the presence of M-FER/TEPA/SOH. Easy workup, green solvent (water) and also short reaction times with high to excellent yield of products, are some of advantageous of presented method. Docking calculations on the structure of the synthesized compounds proved their medicinal properties against breast cancer cells.

摘要

在这项研究中,制备了基于丝光沸石的磁性固体酸纳米催化剂,并将其用作在室温下的水中绿色合成某些[1,3]-恶嗪衍生物的催化剂。在短反应时间后,以高至优异的产率获得了合成的化合物,并通过光谱方法如:FT-IR、H NMR 和 C NMR 研究了合成产物的结构。使用 XRD、FT-IR、FE-SEM、EDX、元素映射、TGA 和 VSM 分析方法对制备的磁性固体酸催化剂进行了表征。磁性催化剂具有易于分离的能力,这导致更好和更容易的回收。[1,3]-恶嗪衍生物的制备和合成在室温下在 M-FER/TEPA/SOH 的存在下进行。简单的后处理、绿色溶剂(水)以及短的反应时间和高至优异的产物产率是该方法的一些优点。对合成化合物结构的对接计算证明了它们对乳腺癌细胞的药用性质。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/59bd/11246498/f17310ab244b/41598_2024_67292_Sch1_HTML.jpg

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