Synthesis, Moleculer Docking and Anticancer Screening of Some Novel Tetrahydronaphthyl Thiazolyl Pyrazoles and other Related Derivatives


CONDENSATION of 5-amino-1-[4-(1,2,3,4-tetrahydronaphthalen-7-yl) thiazol-2-yl]-1
H-pyrazole-4-carbonitrile (3) with different reagents such as triethylorthoformate, ethyl chloroformate and/or hydroxyamine hydrochloride yielded the substituted pyrazoles 4-6. Cyclocondensation of 3 with formic acid, acetic anhydride, formamide and /or acetamide afforded the pyrimidine derivatives 8-11. Reaction of 3 with carbon disulphide, substituted isothiocynate, malononitrile, aldehydes and /or chloroacetylchloride yielded the corresponding derivatives 12-16. Also, hydrolysis of 3 with conc. sulfuric acid at different conditions gave 17 and/or 18. Docking studies of the newly prepared compounds as thymidylate synthase inhibitors have been done. Some of the newly prepared compounds were evaluated as anticancer agents against three human tumor cell lines (HCT116, HePG2, MCF7).