2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid | 189059-71-0

• 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: 2-[1-[2-[(3R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetyl]piperidin-4-yl]acetic acid
• CAS: 189059-71-0
• 化学式: C₃₁H₃₉ClN₂O₈
• 分子量: 603.1
• InChiKey: HDGUKVZPMPJBFK-RXVAYIKUSA-N

物化性质

• 溶解度：
  二甲基亚砜：25 mg/mL（41.45 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  8

制备方法与用途

生物活性

Lapaquistat (T-91485) 是一种胆固醇生物合成抑制剂，是 TAK-475 的活性代谢产物。它能够降低他汀类药物在降脂过程中的肌毒性。

靶点

胆固醇生物合成

文献信息

• ENZYME INHIBITOR FOR CANCER TREATMENT
  申请人：The Curators of the University of Missouri

  公开号：US20140286945A1

  公开（公告）日：2014-09-25

  Disclosed herein is a new and improved therapy for the treatment of diseases including cancer, which comprises the step of altering cell membrane lipid composition by treating a cancer cell with an enzyme inhibitor which inhibits enzymes regulating the cholesterol biosynthetic pathway. The method may also be employed in combination with existing chemotherapeutic agents to combat the drug resistance and enhance the therapeutic efficacy of conventional therapy.
• [EN] ENZYME INHIBITOR FOR CANCER TREATMENT<br/>[FR] INHIBITEUR ENZYMATIQUE POUR LE TRAITEMENT DU CANCER
  申请人：UNIV MISSOURI

  公开号：WO2013059772A1

  公开（公告）日：2013-04-25

  Disclosed herein is a new and improved therapy for the treatment of diseases including cancer, which comprises the step of altering cell membrane lipid composition by treating a cancer cell with an enzyme inhibitor which inhibits enzymes regulating the cholesterol biosynthetic pathway. The method may also be employed in combination with existing chemotherapeutic agents to combat the drug resistance and enhance the therapeutic efficacy of conventional therapy.