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Synthesis, Screening and Qsar Studies of 3-Formyl-2-Oxo-1, 2, 3, 4- Tetrahydropyrimidine Analogues as Antibacterial Agents

R. L. Sawant and M. S. Bhatia

5–Acyl–6–methyl–4–substituted–2–oxo–1,2,3,4–tetrahydropyrimidines (1) were prepared by cyclocondensation reaction between appropriate aldehyde, acetoacetate and urea using aluminium chloride and concentrate hydrochloric acid as catalyst. These compounds (1) upon treatment with dimethylformamide and phosphorous oxychloride furnish the title compounds (2a-l). The structures of all title compounds have been confirmed on the basis of their analytical, IR and NMR spectral data. The title compounds have been tested for antibacterial activity against Staphylococcus aureus. A quantitative structure activity relationship study was made using various descriptors. Several statistical expressions were developed using stepwise multiple linear regression analysis. The best quantitative structure activity relationship model was further cross validated. The study revealed that electronic property (heat of formation) contributes negatively and spatial descriptor (standard dimension-3) contributes positively. The study suggested that minimizing the heat of formation and increasing the surface area may lead to better antibacterial compound from this series.