5-(4-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 5-(4-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
• 化学式: C₂₂H₂₆N₄O₄
• 分子量: 410.5
• InChiKey: OUSRRFFVGGCODI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Modulators of Aldehyde Dehydrogenase and Methods of Use Thereof
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20150182506A1

  公开（公告）日：2015-07-02

  The present disclosure provides compounds that function as modulators of aldehyde dehydrogenase (ALDH) enzymatic activity, as well as compositions and formulations comprising the compounds. The present disclosure provides therapeutic methods involving administering a subject compound, or a subject pharmaceutical composition.