Identification of 6-Anilino Imidazo[4,5- c]pyridin-2-ones as Selective DNA-Dependent Protein Kinase Inhibitors and Their Application as Radiosensitizers

J Med Chem. 2024 Jul 25;67(14):12366-12385. doi: 10.1021/acs.jmedchem.4c01120. Epub 2024 Jul 15.

Abstract

The dominant role of non-homologous end-joining in the repair of radiation-induced double-strand breaks identifies DNA-dependent protein kinase (DNA-PK) as an excellent target for the development of radiosensitizers. We report the discovery of a new class of imidazo[4,5-c]pyridine-2-one DNA-PK inhibitors. Structure-activity studies culminated in the identification of 78 as a nM DNA-PK inhibitor with excellent selectivity for DNA-PK compared to related phosphoinositide 3-kinase (PI3K) and PI3K-like kinase (PIKK) families and the broader kinome, and displayed DNA-PK-dependent radiosensitization of HAP1 cells. Compound 78 demonstrated robust radiosensitization of a broad range of cancer cells in vitro, displayed high oral bioavailability, and sensitized colorectal carcinoma (HCT116/54C) and head and neck squamous cell carcinoma (UT-SCC-74B) tumor xenografts to radiation. Compound 78 also provided substantial tumor growth inhibition of HCT116/54C tumor xenografts in combination with radiation. Compound 78 represents a new, potent, and selective class of DNA-PK inhibitors with significant potential as radiosensitizers for cancer treatment.

MeSH terms

  • Animals
  • Cell Line, Tumor
  • DNA-Activated Protein Kinase* / antagonists & inhibitors
  • DNA-Activated Protein Kinase* / metabolism
  • Humans
  • Imidazoles / chemical synthesis
  • Imidazoles / chemistry
  • Imidazoles / pharmacokinetics
  • Imidazoles / pharmacology
  • Mice
  • Mice, Nude
  • Protein Kinase Inhibitors* / chemical synthesis
  • Protein Kinase Inhibitors* / chemistry
  • Protein Kinase Inhibitors* / pharmacokinetics
  • Protein Kinase Inhibitors* / pharmacology
  • Pyridones / chemical synthesis
  • Pyridones / chemistry
  • Pyridones / pharmacokinetics
  • Pyridones / pharmacology
  • Radiation-Sensitizing Agents* / chemical synthesis
  • Radiation-Sensitizing Agents* / chemistry
  • Radiation-Sensitizing Agents* / pharmacokinetics
  • Radiation-Sensitizing Agents* / pharmacology
  • Rats
  • Structure-Activity Relationship
  • Xenograft Model Antitumor Assays

Substances

  • DNA-Activated Protein Kinase
  • Protein Kinase Inhibitors
  • Radiation-Sensitizing Agents
  • Imidazoles
  • Pyridones