• 68Ga-EDTA-Mepy2;
  • EDTA-Mepy2;
  • Ga kinetics;
  • human serum albumin interaction;
  • stability constant

A novel transitional metal ligand derivatized from EDTA-conjugated 2-amino-4-methyl pyridine, an acyclic vehicle (EDTA-Mepy2) was designed, synthesized, and characterized for PET imaging with 68Ga. The drug likeliness and appropriate lipophilicity were first analyzed by molecular docking studies which shows interactive property of ligand with serum albumin protein (HSA: PDB 1E78), at Lys199, Arg257, and His242 residues, which make it more appropriate in transportation as a specific ligand for PET imaging. As a confirmation, binding constant of the ligand with human serum albumin was calculated at λex = 350 nm which was found to be 4.9 × 103 m−1. The pharmacokinetics of 68Ga-EDTA-Mepy2 was analyzed by blood kinetics (t1/2 slow: 3 h 56 min and t1/2 fast: 32 min) and biodistribution (maximum%ID/g was found in kidney at 1 h). Further the capability of this ligand was analyzed as optical marker also, by recording λex = 380 nm, RFU = 8000; 710 nm, RFU = 1000 units at fixed λem = 280 nm. Additionally, in physiological conditions where its stability was calculated, suggests 15–20 times selectivity over the endogenously present metal ions (KGaL/KZnL = 14.3, KGaL/KCuL = 18.1).