4-Methyl morpholinium bis-(thio)barbiturates: Synthesis, structure, anticancer evaluation, and CoMFA study
| Autor: | Ertan Şahin, Tuncay Tunç, Hamid Rashidnejad, Mohammad Ali Esmaeili, Elnaz Safari, Mostafa Alilou, Nader Noroozi Pesyan, Reihaneh Safavi-Sohi |
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| Přispěvatelé: | Eğitim Fakültesi |
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Eight-membered IntramolecularH-bond
Barbituric acid Barbituric Acid Anticancer Effect Thio General Chemistry Eight-membered Intramolecular H-bond Medicinal chemistry Resonance-assistedH-bonds chemistry.chemical_compound chemistry CoMFA Study 4-methyl Morpholine Negative Charge-assisted H-bonds Resonance-assisted H-bonds Negative Charge-assistedH-bonds |
| Popis: | *Tunç, Tuncay ( Aksaray, Yazar ) The reaction of symmetrical (thio)barbituric acids with aldehydes in the presence of 4-methyl morpholine yielded a new form of 4-methyl morpholinium bis-(thio)barbiturate containing charge-separated intermolecular and eight-membered intramolecularH-bonds. X-ray Crystallography, FT-IR, and(1)H and(13)C-NMR spectroscopy techniques were used for structure characterizations. Some of these compounds showed potent anticancer activities. Cytotoxicity of the synthetic compounds against HeLa and MCF-7 cell lines were performed by MTT assay. In addition, a comparative molecular field analysis was carried out, and the effects of substituents on the biological activities of these compounds were explained. |
| Databáze: | OpenAIRE |
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