Login / Signup

Identification of Morpholino-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-ones as Nonsteroidal Mineralocorticoid Antagonists.

David W PiotrowskiKentaro FutatsugiAgustin Casimiro-GarciaLiuqing WeiMatthew F SammonsMichael HerrWenhua JiaoSophie Y LavergneSteven B CoffeyStephen W WrightKun SongPaula M LoriaMary Ellen BankerDonna N PetersenJonathan Bauman
Published in: Journal of medicinal chemistry (2018)
A novel series of morpholine-based nonsteroidal mineralocorticoid receptor antagonists is reported. Starting from a pyrrolidine HTS hit 9 that possessed modest potency but excellect selectivity versus related nuclear hormone receptors, a series of libraries led to identification of morpholine lead 10. After further optimization, cis disubstituted morpholine 22 was discovered, which showed a 45-fold boost in binding affinity and corresponding functional potency compared to 13. While 22 had high clearance in rat, it provided sufficient exposure at high doses to favorably assess in vivo efficacy (increased urinary Na+/K+ ratio) and safety. In contrast to rat, the dog and human MetID and PK profiles of 22 were adequate, suggesting that it could be suitable as a potential clinical asset.
Keyphrases
  • endothelial cells
  • oxidative stress
  • magnetic resonance
  • bioinformatics analysis
  • magnetic resonance imaging
  • computed tomography
  • contrast enhanced
  • mass spectrometry
  • climate change