Machine learning-aided design, synthesis and biological evaluation of novel 4-(imidazo[1,2-a]pyridine-3‑carbonyl) phenyl urea derivatives as potent FLT3 inhibitors.

FLT3 protein kinase is a promising target for the treatment of acute myeloid leukemia (AML), and the development of this kinase inhibitor is highly desirable to overcome FLT3-positive AML. Herein, the bioactive predictions and screening were conducted based on our previous machine learning model in this work. Using ZY06 as a candidate, the design, synthesis and biological evaluation of a series of 4-(imidazo[1,2-a]pyridine-3‑carbonyl) phenyl urea derivatives as novel FLT3 inhibitors were systematically investigated.

Synthesis of imidazopyridines NaIO/TBHP-promoted (3 + 2) cycloaddition and biological evaluation as anticancer agents.

A novel and simple NaIO/TBHP-promoted (3 + 2) cycloaddition reaction of propargyl alcohols and 2-aminopyridines was discovered for the synthesis of imidazo[1,2-]pyridines. This protocol exhibits a broad substrate scope for both propargyl alcohols and 2-aminopyridines, with high functional group tolerance, leading to the formation of various C3-carbonylated imidazopyridines in moderate yields. More importantly, these synthesized compounds were evaluated for their antiproliferation activity against MOLM-13 and MV4-11 cells, indicating that 3n, 5a and 5d possessed good bioactivity.