2,2'-(1-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diyl)diphenol | 201530-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,2'-(1-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diyl)diphenol
• 英文别名: 3,5-bis(2-hydroxyphenyl)-1-(4-methoxyphenyl)-1H-[1,2,4]triazole；2-[5-(2-hydroxyphenyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
• CAS: 201530-45-2
• 化学式: C₂₁H₁₇N₃O₃
• 分子量: 359.384
• InChiKey: ZGODYFRLQSUBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  水杨酰胺 在 吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 15.0h， 生成 2,2'-(1-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diyl)diphenol
  参考文献：
  名称：

  Tuning the Solid- and Solution-State Fluorescence of the Iron-Chelator Deferasirox

  摘要：

  DOI：

  10.1021/jacs.2c01155

文献信息

• Substituted 3,5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators
  申请人：Novartis AG

  公开号：US06465504B1

  公开（公告）日：2002-10-15

  The use is described of 3,5-diphenyl-1,2,4-triazoles of the formula I in which R1-R5 are as defined in the description. The compounds have useful pharmaceutical properties and are particularly active as iron chelators. They can be used for the treatment of iron overload in warm-blooded animals.

  本文描述了公式I中的3,5-二苯基-1,2,4-三唑的用途，其中R1-R5如描述所定义。这些化合物具有有用的药理特性，特别是作为铁螯合剂具有很高的活性。它们可以用于治疗温血动物中的铁过载。
• Substituted 3, 5-diphenyl-1,2,4-triazoles and their use as pharmaceutical metal chelators
  申请人：——

  公开号：US20030203954A1

  公开（公告）日：2003-10-30

  The use is described of 3,5-diphenyl-1,2,4-triazoles of the formula I 1 in which R 1 -R 5 are as defined in the description. The compounds have useful pharmaceutical properties and are particularly active as iron chelators. They can be used for the treatment of iron overload in warm-blooded animals.

  本文描述了公式I1中R1-R5定义的3,5-二苯基-1,2,4-三唑的用途。这些化合物具有有用的药物特性，特别是作为铁螯合剂的活性非常高。它们可用于治疗温血动物中的铁过载。
• SUBSTITUTED 3,5-DIPHENYL-1,2,4-TRIAZOLES AND THEIR USE AS PHARMACEUTICAL METAL CHELATORS
  申请人：Novartis AG

  公开号：EP0914118B1

  公开（公告）日：2002-10-23
• METHOD OF TREATING OR PREVENTING PATHOLOGIC EFFECTS OF ACUTE INCREASES IN HYPERGLYCEMIA AND/OR FREE FATTY ACID FLUX
  申请人：ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY

  公开号：EP1968599A2

  公开（公告）日：2008-09-17
• Method of treating or preventing pathologic effects of acute increases in hyperglycemia and/or acute increases of free fatty acid flux
  申请人：Gurtner C. Geoffrey

  公开号：US20060281748A1

  公开（公告）日：2006-12-14

  One aspect of the present invention relates to a method of treating or preventing pathologic effects of hyperglycemia and/or increased fatty acid flux in a subject in need of such treatment or preventive therapy. This method involves administering a composition containing a therapeutically effective amount of a ROS inhibitor to a subject in need thereof.