Novel pyrazolo[3,4-d]pyrimidines were designed and synthesized as anti tumor agents against human breast cancer adenoma (MCF-7). Molecular modeling and pharmacological screening were performed against breast cancer cell line and also certain synthetic pathways were developed in order to introduce functionality onto C6 and N5 positions of pyrimidine moiety. Surprisingly, all of the test compounds showed IC50 lower than that of the standard olomoucine I, especially compounds (4b, 8a, 10b, 11a&b), which showed IC50 between (0.009-0.004 μM).
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