1-(3-ethoxyphenyl)-4-(3-nitrophenyl)-1,2,3-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(3-ethoxyphenyl)-4-(3-nitrophenyl)-1,2,3-triazole
• 英文别名: 1-(3-Ethoxyphenyl)-4-(3-nitrophenyl)triazole；1-(3-ethoxyphenyl)-4-(3-nitrophenyl)triazole
• 化学式: C₁₆H₁₄N₄O₃
• 分子量: 310.312
• InChiKey: RMVXSXVVTAGAGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  85.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  间氨基苯乙醚 在 盐酸 、 copper(II) sulfate 、 维生素 C 作用下， 以 水 、 叔丁醇 为溶剂， 反应 3.85h， 生成 1-(3-ethoxyphenyl)-4-(3-nitrophenyl)-1,2,3-triazole
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of Triazole Derivatives That Induce Nrf2 Dependent Gene Products and Inhibit the Keap1–Nrf2 Protein–Protein Interaction

  摘要：

  The transcription factor Nrf2 regulates the expression of a large network of cytoprotective and metabolic enzymes and proteins. Compounds that directly and reversibly inhibit the interaction between Nrf2 and its main negative regulator Keap1 are potential pharmacological agents for a range of disease types including neurodegenerative conditions and cancer. We describe the development of a series of 1,4-dipheny1-1,2,3-triazole compounds that inhibit the Nrf2-Keap1 protein protein interaction (PPI) in vitro and in live cells and up-regulate the expression of Nrf2-dependent gene products.

  DOI：

  10.1021/acs.jmedchem.5b00602

文献信息

• Design, Synthesis, and Evaluation of Triazole Derivatives That Induce Nrf2 Dependent Gene Products and Inhibit the Keap1–Nrf2 Protein–Protein Interaction
  作者：Hélène C. Bertrand、Marjolein Schaap、Liam Baird、Nikolaos D. Georgakopoulos、Adrian Fowkes、Clarisse Thiollier、Hiroko Kachi、Albena T. Dinkova-Kostova、Geoff Wells

  DOI：10.1021/acs.jmedchem.5b00602

  日期：2015.9.24

  The transcription factor Nrf2 regulates the expression of a large network of cytoprotective and metabolic enzymes and proteins. Compounds that directly and reversibly inhibit the interaction between Nrf2 and its main negative regulator Keap1 are potential pharmacological agents for a range of disease types including neurodegenerative conditions and cancer. We describe the development of a series of 1,4-dipheny1-1,2,3-triazole compounds that inhibit the Nrf2-Keap1 protein protein interaction (PPI) in vitro and in live cells and up-regulate the expression of Nrf2-dependent gene products.