A Simple and Efficient Procedure toward 2-Thioxoquinazolin-4(1H)-one Derivatives

Articles in Press

Document Type : Research Article

Authors

1 Plant and Animal Production Department, Technical Sciences Vocational School of Sivas, Sivas Cumhuriyet University, Sivas, Turkey

2 School of Chemistry, College of Science, University of Tehran, Tehran, Iran

3 Endocrinology and Metabolism Research Center, Endocrinology and Metabolism Clinical Sciences Institute, Tehran University of Medical Sciences, Tehran, Iran

4 Bartin University, Bartin, Turkey

Abstract

A facile synthetic route for constructing 2-thioxoquinazolin-4(1H)-one derivatives through cyclization reactions using readily available starting materials 2-aminobenzoic acids, alkyl/aryl amines, and carbon disulfide is described. These reactions occur under mild conditions, resulting in the desired products with good to high yields. In this study, a mixture of 2-aminobenzoic acid 1 (1 mmol), the corresponding amine 2 (1 mmol), and carbon disulphide (3 mmol) in DMF (10 mL) was stirred for 8 h at 60 °C. The progress of the reaction was monitored by TLC.

Molecular docking was conducted to assess the activities of the 2-thioxoquinazolin-4(1H)-one derivatives against breast cancer protein (PDB ID: 1JNX), liver cancer protein (PDB ID: 2H80), and colon cancer protein (PDB ID: 4UYA). Furthermore, an ADME/T analysis was performed to evaluate the impact of these compounds on human metabolism.

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Iranian Journal of Chemistry and Chemical Engineering

Articles in Press, Accepted Manuscript
Available Online from 09 December 2023

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