Synthesis of modified pyrimidine bases and positive impact of chemically reactive substituents on their in vitro antiproliferative activity

Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one

“…In the title compound, the 2-Trifluoromethyl-10H-benzo [4,5]imidazo[1,2-a]pyrimidin-4-one,(C 11 H 6 F 3 N 3 O), the three fused rings of the benzo [4,5]imidazo[1,2-a]pyrimidine unit are essentially coplanar; the maximum deviation from the mean plane being 0.096 Å. In the crystal, NAHÁ Á ÁO hydrogen bonds link the molecules into chains running along the b-axis direction [6].…”

“…Our ongoing research in the field of synthesis and biological evaluation on the dihydrobenzo [4,5]imidazo[1,2-a]pyrimidin-4-one fused class of molecules have gained much importance, owing to broad spectrum and wide range of interesting biological activities of the benzimidazole [1,2] and the pyrimidine [3,4]. Hence the fusion of benzimidazole and pyrimidine pharmacophores in a single molecular frame work and its influence on the biological activities are of immense interest; and had become a subject of our study in the recent times.…”

“…Hence the fusion of benzimidazole and pyrimidine pharmacophores in a single molecular frame work and its influence on the biological activities are of immense interest; and had become a subject of our study in the recent times. In our previous work [5], we have shown by in vitro that the benzo [4,5]imidazo[1,2-a]pyrimidin-4-one derivatives have given significant antibacterial, antifungal and anticancer activities and were proven to be highly potent active molecules than the standard drugs available in the market. In view of this background and from the literature survey, which reveals that to the best of our knowledge; the results based on quantum chemical calculations, FT-IR and Laser-Raman spectral studies and HOMO-LUMO analysis on the compound 2-Trifluoromethyl-10H-benzo [4,5]-imidazo[1,2-a]pyrimidin-4-one (TIP) have not been reported elsewhere.…”

“…In this study, the experimental and theoretical vibrational frequencies of a newly synthesized bioactive agent namely, 2-Trifluoromethyl-10H-benzo [4,5]-imidazo[1,2-a]pyrimidin-4-one (TIP) have been investigated. The experimental FT-IR (4000-400 cm À1 ) and Laser-Raman spectra (4000-100 cm À1 ) of the molecule in solid phase have been recorded.…”

Microwave assisted synthesis of dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-4-ones; synthesis, in vitro antimicrobial and anticancer activities of novel coumarin substituted dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-4-ones

“…5-Benzylidine barbiturate derivatives [7] inhibited the growth of mushroom tyrosinase and Gram-positive bacteria Staphylococcus aureus. Pyrimidine bases [8] exerted pronounced antiproliferative activity against the HeLa and MiaPaCa-2 cell lines. 1-Adamantyl thiopyrimidines [9] displayed the significant cytotoxic activity particularly against H69AR cell line.…”