الفهرس 
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Abstract
In this thesis we aimed to synthesis the structure of some novel heterocyclic compounds focusing on pyrimidine thiol derivatives and studying the importance of heterocyclic compounds and showed a broad range of biological activities on the synthesized products. Evaluation docking and computational studies of the newly synthesized compounds. In this elucidation, we studied the utility of condensation reaction between ethyl cyanoacetate (1) with thiourea (2) and 4-chlorobenzaldehyde (3) to afford 4-(4-chlorophenyl)-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (4).
Then study its reactions with different reagents to obtain the corresponding pyrimidine thiol derivatives (5,7,8a,8b,9) which were confirmed via spectral data. Aslo, combine (4) with p-anisaldehyde in one step reaction to afford the bis pyrimidine thiol (6). While (4) reacted with 4-chloroaniline to form a heterogeneous ring consisting of five atoms of triazole moiety (8c). Moreover, intermolecular cyclization of pyrimidine thiol (4) with chloroacetic acid and different aldehydes was carried out to give thiazole derivatives (10a-c).
Compound (4) with NH2NH2 was carried out to afford the corresponding hydrazinopyramidine derivative (11).
Also, reaction of hydrazinopyramidine derivative (11) with different carbonyl compounds (acetophenone and cyclopentanone) to afford the
formation of Schiff base (12-13). Compounds (14- 16) were successfully synthesized five membered ring compounds containing triazole moiety via the reaction of hydrazinopyramidine derivative (11) with electrophilic reagents (phenyl isothiocyanate, carbon disulfide and acetic acid).
The newly synthesized compounds were examined against antimicrobial activity and showed satisfied activities against the different strains. Additionally, molecular docking studies were carried out for some compounds such as (5) and (15). Some of the newly compounds were screened for their antiproliferative activities against Breast carcinoma cell lines (MCF-7) which were given highly good results of IC50 of synthesized compounds especially compounds (5), (14) and (6) had the highest anticancer activity against a breast cancer cell lines (MCF-7) (IC50 = 5, 10 and 13 µg/ml) which had more effective than Doxorubicin drug (IC50 = 5.6 µg/ml).