4-[(3R,9aS)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-2-fluoro-3-methoxybenzonitrile

• 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: 4-[(3R,9aS)-8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-3-yl]-2-fluoro-3-methoxybenzonitrile
• 化学式: C₂₆H₂₈FN₃O₅
• 分子量: 481.5
• InChiKey: XKRNICLVSMJVAS-RTFZILSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL
  申请人：PASTERNAK Alexander

  公开号：US20160002259A1

  公开（公告）日：2016-01-07

  The present invention provides compounds of Formula I and the pharmaceutically acceptable salts 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.

  本发明提供了I式化合物及其药学上可接受的盐，它们是ROMK（Kir1.1）通道的抑制剂。这些化合物可以用作利尿和/或钠利尿剂，并用于治疗和预防包括高血压、心力衰竭、肾脏疾病、水肿和与过度盐和水潴留有关的疾病等医疗条件。
• US9604998B2
  申请人：——

  公开号：US9604998B2

  公开（公告）日：2017-03-28
• [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.