Abstract
Novel targets of 2-aminothiophene derivatives (2-9) were synthesized based upon preparation of the newly 5-acetyl-4-((4-acetylphenyl)amino)-2-aminothiophene-3-carbonitrile (2) using Gewald methodology. Several functional chemical reactions were performed depending on the reactivity of the substituents attached to the thiophene nucleus towards various nucleophiles. The chemical structures of the synthesized compounds were elucidated by various spectral analyses. Molecular modeling studies displayed the geometrical structures for the investigated compounds and exhibited that the sulfur and carbon atoms at positions 2 and 4 have positive charges while those at 3 and 5 positions have negative charges which found to be more reactive. The potential biological activities of the investigated compounds were examined as antitumor agents against two human tumor cell lines namely; hepatocellular carcinoma (HEPG-2) and mammary gland breast cancer (MCF-7). All the compounds were found to inhibit the growth of both human tumor cell lines with variable degrees comparing with the reference control drug (Doxorubicin). The practical findings were in a good agreement with modeling study. (C) 2020 Elsevier B.V. All rights reserved.