4-(4-(3,4-dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol | 1251913-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-(3,4-dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
• 英文别名: 4-[4-[(3,4-dimethoxyphenyl)methyl]triazol-1-yl]phenol
• CAS: 1251913-22-0
• 化学式: C₁₇H₁₇N₃O₃
• 分子量: 311.34
• InChiKey: WROHMIVHYWMDPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  69.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 4-(4-(3,4-dimethoxybenzyl)-1H-1,2,3-triazol-1-yl)phenol
  参考文献：
  名称：

  Receptor agonists of macrophage migration inhibitory factor

  摘要：

  The cytokine MIF is involved in inflammation and cell proliferation via pathways initiated by its binding to the transmembrane receptor CD74. MIF also promotes AMPK activation with potential benefits for response to myocardial infarction and ischemia-reperfusion. Structure-based molecular design has led to the discovery of not only antagonists, but also the first agonists of MIF-CD74 binding. The compounds contain a triazole core that is readily assembled via Cu-catalyzed click chemistry. The agonist and antagonist behaviors were confirmed via study of MIF-dependent ERK1/2 phosphorylation in human fibroblasts. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.118