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Volume 29, Issue 1
  • ISSN: 1385-2728
  • E-ISSN: 1875-5348

Abstract

A one-pot three/two-component reaction of 3-acetyl-coumarin (), 4/3-anisaldehyde () and malononitrile or 3-acetylcoumarin () and 2-(4/3-methoxybenzylidene)malononitrile in glacial acetic acid/ammonium acetate under reflux afforded 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2-chromen-3-yl)nicotinonitrile (). Spectral data helped establish the structures of the compounds. Subsequently, an antiproliferative evaluation against a selected line of tumorous cells (HepG-2, MDA-MB-231 and A549) was performed - for the novel 2-amino-4-(4/3-methoxyphenyl)-6-(2-oxo-2-chromen-3-yl)nicotinonitrile (). Compound exhibited good efficiency against the MDA-MB-231 and A549 cell lines compared with the reference drug (Vinblastine). Furthermore, the chemical reactivity of both compounds was discussed using DFT. Lastly, a molecular docking analysis was addressed and conducted for these desired molecules.

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2024-07-18
2025-04-15

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/content/journals/coc/10.2174/0113852728320798240711052115
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Heteroaromatization of Coumarin Part III: One-pot Synthesis, Antitumor Activity, DFT Studies, and Molecular Docking of Coumarin Derivatives
Current Organic Chemistry 29, 75 (2025); https://doi.org/10.2174/0113852728320798240711052115
/content/journals/coc/10.2174/0113852728320798240711052115
/content/journals/coc/10.2174/0113852728320798240711052115
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  • Article Type:     Research Article
Keyword(s): 3-Acetylcoumarin; anticoagulant; antimalarial; antitumor activity; DFT; docking study

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