In silico study, synthesis, radiolabeling, and preliminary biological evaluation of 99mTc-DTPA-benzothiazole for breast cancer imaging.

Benzothiazole derivatives have attracted attention for radiopharmaceutical development due to their potential interactions with biological targets associated with breast cancer. In the present study, a novel 99mTc-DTPA-benzothiazole-17 (TDB-17) compound was synthesized, radiolabeled, and preliminarily evaluated for breast cancer imaging research. In silico studies were performed to predict the interaction of the benzothiazole derivative with breast cancer-related biological targets. TDB-17 was synthesized by conjugating 2-aminobenzothiazole with CaNa3-DTPA and subsequently radiolabeled with 99mTc using SnCl2 as a reducing agent. The synthesized compound and radiocomplex were characterized using radio-high-performance liquid chromatography (radio-HPLC), high-resolution mass spectrometry (HRMS), and nuclear magnetic resonance (NMR). The radiolabeling process produced a radiochemical purity of 96.2 ± 1.2%. A preliminary biological evaluation showed that TDB-17 exhibited hydrophilic properties (log P = -1.5 ± 0.2) and time-dependent cellular uptake in MCF-7 cells, reaching 78.4% at 120 min. Biodistribution and gamma-camera imaging studies in normal mice showed predominant accumulation of TDB-17 in the liver, lungs, and spleen, providing initial information on the in vivo distribution of the radiocomplex. Overall, TDB-17 demonstrated favorable radiochemical characteristics and a preliminary biological profile, supporting further investigation of this 99mTc-labeled benzothiazole derivative for breast cancer imaging applications.