Design, Sequential Synthesis, Kinase Inhibitors Comparative Docking, MD Simulations, 99mTc-Coupling and In-Vivo Studies of Novel Pyrazolopyrimidine Derivatives

Pyrazolopyrimidine derivative was synthesized and labeled with 99mTc using sodium dithionite as reducing agents. The purity of radiochemical 99mTc(Na2S2O4)-compound was 93.4%, and the synthesized complex was stable in vitro for 6 hours. Furthermore, using a radiolabeling technique, a bio-distribution investigation showed that tumor-bearing mice exhibited a remarkable absorption of [99mTc]Tc-complex, with a significant concentration in tumor tissues and a T/NT of 6.58 after 60 minutes after injection. These encouraging results mean that the synthesized compound offers a potential radio-carrier that can be used as a tumor marker and, following additional preclinical research, can be used for cancer therapy. Molecular dynamic simulation confirmed the stability of this compound in the active sites of both EGFR and VEGFR-2 receptors.