tert-butyl (3R,9aS)-3-(4-cyano-3,5-difluorophenyl)-9a-methyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: tert-butyl (3R,9aS)-3-(4-cyano-3,5-difluorophenyl)-9a-methyl-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazine-8-carboxylate
• 化学式: C₂₀H₂₅F₂N₃O₃
• 分子量: 393.4
• InChiKey: JJEHNNUNPYOFJM-PXNSSMCTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  65.8
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL<br/>[FR] INHIBITEURS DU CANAL POTASSIQUE MÉDULLAIRE EXTÉRIEUR RÉNAL
  申请人：MERCK SHARP & DOHME

  公开号：WO2014126944A2

  公开（公告）日：2014-08-21

  The present invention provides compounds of Formula(I) or a pharmaceutically acceptable salt thereof, which are inhibitors of the ROMK (Kir1.1) channel. The compounds may be used as diuretic and/or natriuretic agents and for the therapy and prophylaxis of medical conditions including cardiovascular diseases such as hypertension, heart failure, kidney disease, edema, and conditions associated with excessive salt and water retention.