1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-2,4-dihydro-1H-3-benzazepin-3-yl)propan-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-hydroxy-5-phenyl-2,4-dihydro-1H-3-benzazepin-3-yl)propan-1-one
• 化学式: C₂₇H₂₇NO₄
• 分子量: 429.5
• InChiKey: PBWHUOGVBCGFKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：EP2126574B1

  公开（公告）日：2015-12-23
• Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof
  申请人：MOCHLY-ROSEN DARIA

  公开号：US20110105602A2

  公开（公告）日：2011-05-05

  The present invention provides compounds that function as modulators of mitochondrial aldehyde dehydrogenase-2 (ALDH2) activity; and pharmaceutical compositions comprising the compounds. The present invention provides therapeutic methods involving administering a subject compound, or a subject pharmaceutical composition. The present invention further provides assays for identifying agonists of ALDH2.
• US9102651B2
  申请人：——

  公开号：US9102651B2

  公开（公告）日：2015-08-11
• US9315484B2
  申请人：——

  公开号：US9315484B2

  公开（公告）日：2016-04-19
• [EN] MITOCHONDRIAL ALDEHYDE DEHYDROGENASE-2 MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS DE L'ALDÉHYDE DÉSHYDROGÉNASE-2 MITOCHONDRIAL, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV LELAND STANFORD JUNIOR

  公开号：WO2008112164A2

  公开（公告）日：2008-09-18

  [EN] The present invention provides compounds that function as modulators of mitochondrial aldehyde dehydrogenase-2 (ALDH2) activity; and pharmaceutical compositions comprising the compounds. The present invention provides therapeutic methods involving administering a subject compound, or a subject pharmaceutical composition. The present invention further provides assays for identifying agonists of ALDH2.
  [FR] L'invention concerne des composés qui fonctionnent comme modulateurs d'activité d'aldéhyde déshydrogénase-2 mitochondrial (ALDH2); et des compositions pharmaceutiques comprenant les composés. La présente invention concerne des procédés thérapeutiques impliquant l'administration d'un composé de l'invention, ou d'une composition pharmaceutique de l'invention. La présente invention concerne en outre des dosages permettant d'identifier des agonistes d'ALDH2.