N-[(3R,5S)-7-chloro-1-(3-hydroxy-2-hydroxymethyl-2-methylpropyl)-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-4-hydroxypiperidine-4-acetic acid methyl ester | 189060-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N-[(3R,5S)-7-chloro-1-(3-hydroxy-2-hydroxymethyl-2-methylpropyl)-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepine-3-acetyl]-4-hydroxypiperidine-4-acetic acid methyl ester
• 英文别名: methyl 2-[1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]-4-hydroxypiperidin-4-yl]acetate
• CAS: 189060-16-0
• 化学式: C₃₂H₄₁ClN₂O₁₀
• 分子量: 649.138
• InChiKey: MBUJMHNPVDZGET-LEAFIULHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  10

文献信息

• Benzoxazepine compounds, their production and use
  申请人：Yukimasa Hidefumi

  公开号：US20070117787A1

  公开（公告）日：2007-05-24

  This invention provides new benzoxazepine compounds represented by the formula: [wherein R stands for a lower alkyl group optionally substituted with a hydroxyl group, X stands for an optionally substituted carbamoyl group or an optionally substituted heterocyclic group having a deprotonatable hydrogen atom, R 1 stands for a lower alkyl group and W stands for a halogen atom] having activities of lowering cholesterol-level and lowering triglyceride-level, and being useful for prophylaxis and therapy of hyperlipidemia.

  本发明提供了一种新的苯并噁唑化合物，其表示为以下式子：[其中R代表可选地取代羟基的低碳基，X代表可选地取代的氨基甲酰基或具有可去质子氢原子的可选地取代的杂环基，R1代表低碳基，W代表卤素原子]，具有降低胆固醇水平和降低甘油三酯水平的活性，适用于预防和治疗高脂血症。
• 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1097928A1

  公开（公告）日：2001-05-09

  This invention provides new benzoxazepine compounds represented by the formula: [wherein R stands for a lower alkyl group optionally substituted with a hydroxyl group, X stands for an optionally substituted carbamoyl group or an optionally substituted heterocyclic group having a deprotonatable hydrogen atom, R1 stands for a lower alkyl group and W stands for a halogen atom] having activities of lowering chlesterol-level and lowering trigluceride-level, and being useful for prophylaxis and therapy of hyperlipidemia.

  本发明提供了由式表示的新的苯并氧氮杂卓化合物： [其中 R 代表被羟基任选取代的低级烷基，X 代表任选取代的氨基甲酰基或具有可去质子氢原子的任选取代的杂环基，R1 代表低级烷基，W 代表卤素原子]，具有降低胆固醇水平和降低甘油三酯水平的活性，可用于高脂血症的预防和治疗。
• BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0862562B1

  公开（公告）日：2001-07-04
• US6110909A
  申请人：——

  公开号：US6110909A

  公开（公告）日：2000-08-29
• US6613761B1
  申请人：——

  公开号：US6613761B1

  公开（公告）日：2003-09-02