Discovery and structure-activity relationship of thienopyridine derivatives as bone anabolic agents

Bioorg Med Chem. 2013 Apr 1;21(7):1628-42. doi: 10.1016/j.bmc.2013.01.071. Epub 2013 Feb 11.

Abstract

A cell-based assay was performed for the discovery of novel bone anabolic agents. Alkaline phosphatase (ALPase) activity of ST2 cells was utilized as an indicator of osteoblastic differentiation, and thienopyridine derivative 1 was identified as a hit compound. 3-Aminothieno[2,3-b]pyridine-2-carboxamide was confirmed to be a necessary core structure for the enhancement of ALPase activity, and then optimization of the C4-substituent on the thienopyridine ring was carried out. Introduction of cyclic amino groups to the C4-position of the thienopyridine ring improved the activity. Especially, N-phenyl-homopiperazine derivatives were found to be strong enhancers of ALPase among this new series. Furthermore, 3-amino-4-(4-phenyl-1,4-diazepan-1-yl)thieno[2,3-b]pyridine-2-carboxamide (15k) was orally administered to ovariectomized (OVX) rats over 6 weeks for evaluating the effects on areal bone mineral density (aBMD), and statistically significant improvements in aBMD were observed from the dosage of 10 mg/kg/day.

MeSH terms

  • Alkaline Phosphatase / metabolism
  • Anabolic Agents / chemistry*
  • Anabolic Agents / pharmacology
  • Anabolic Agents / therapeutic use*
  • Animals
  • Bone Density / drug effects*
  • Cell Differentiation / drug effects
  • Cell Line
  • Drug Discovery
  • Female
  • Humans
  • Osteoporosis / drug therapy*
  • Osteoporosis / metabolism
  • Ovariectomy
  • Rats
  • Rats, Inbred F344
  • Structure-Activity Relationship
  • Thienopyridines / chemistry*
  • Thienopyridines / pharmacology
  • Thienopyridines / therapeutic use*

Substances

  • Anabolic Agents
  • Thienopyridines
  • Alkaline Phosphatase