An efficient synthesis of hybrid heterocyclic–fatty acid derivatives of 2-(1, 3-dioxoisindolin-2-yl) ethyl ester, biological evaluation and their molecular docking studies

IF 2.7 Q2 Chemistry

Chemical Data Collections Pub Date : 2025-07-16 DOI:10.1016/j.cdc.2025.101196

Manohar Barla , Rajitha Nampally , Ampalam Venkata Snehalatha , Revanth Bathula , Kalyani Jatoth , Sandeepta Burgula , Ramchander Jadhav , Manohar Basude , Yadagiri Bhongiri

引用次数: 0

Abstract

In this work, a series of 2(1, 3-dioxoisindolin-2-yl) ethyl esters were designed and synthesized in an efficient method by involving Phthalic anhydride using DMF and 2-amino ethanol to give 2-(2‑hydroxy ethyl)-1H-isoindole-1,3-(2H)‑dione. This compound was esterified with various long-chain fatty acids using DCC, and DMAP. IR, 1H, 13CNMR, and Mass spectral analysis confirmed the structures of the synthesized compounds. Molecular docking studies were evaluated for the synthesized derivatives against the HDAC7 protein for cancer treatment. All the compounds were tested in vitro against the MDA-MB 231, MCF-7, and HEK-231 cancer cell lines.

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高效合成杂化杂环脂肪酸衍生物2-（1,3 -二氧辛吲哚-2-基）乙酯，进行生物学评价及其分子对接研究

以邻苯二酸酐为原料，以DMF和2-氨基乙醇为原料，设计合成了一系列2（1,3-二氧杂吲哚-2-基）乙酯，得到了2-（2 -羟基乙基）- 1h -异吲哚-1,3-(2H) -二酮。该化合物通过DCC和DMAP与多种长链脂肪酸酯化。IR, 1H， 13CNMR和质谱分析证实了合成化合物的结构。对合成的抗HDAC7蛋白衍生物进行了分子对接研究。所有化合物在体外对MDA-MB 231， MCF-7和HEK-231癌细胞系进行了测试。

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来源期刊

Chemical Data Collections Chemistry-Chemistry (all)

CiteScore

6.10

自引率

0.00%

发文量

169

审稿时长

24 days

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