1,4-bis-(4-(4-(3-(piperidin-1-yl)propylaminocarbonyl)oxazol-2-yl)phenyl)-1,2,3-triazole | 1353130-83-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-bis-(4-(4-(3-(piperidin-1-yl)propylaminocarbonyl)oxazol-2-yl)phenyl)-1,2,3-triazole
• 英文别名: N-(3-piperidin-1-ylpropyl)-2-[4-[1-[4-[4-(3-piperidin-1-ylpropylcarbamoyl)-1,3-oxazol-2-yl]phenyl]triazol-4-yl]phenyl]-1,3-oxazole-4-carboxamide
• CAS: 1353130-83-2
• 化学式: C₃₈H₄₅N₉O₄
• 分子量: 691.833
• InChiKey: HSBAZKKQTJNEFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  51
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  对氨基苯甲酰胺 在 盐酸 、 亚硝酸特丁酯 、 copper(ll) sulfate pentahydrate 、 草酰氯 、 碳酸氢钠 、 sodium ascorbate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 5.42h， 生成 1,4-bis-(4-(4-(3-(piperidin-1-yl)propylaminocarbonyl)oxazol-2-yl)phenyl)-1,2,3-triazole
  参考文献：
  名称：

  A fragment based click chemistry approach towards hybrid G-quadruplex ligands: design, synthesis and biophysical evaluation

  摘要：

  A library of hybrid oxazole-triazole based compounds containing contiguously linked aromatic units were synthesised as G-quadruplex binding ligands. The design of these ligands was based upon combining features of our first generation of G-quadruplex bis-triazole ligands and the natural product telomestatin. The syntheses and biophysical studies of these ligands are described. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.10.066

文献信息

• A fragment based click chemistry approach towards hybrid G-quadruplex ligands: design, synthesis and biophysical evaluation
  作者：Dougal J. Ritson、John E. Moses

  DOI：10.1016/j.tet.2011.10.066

  日期：2012.1

  A library of hybrid oxazole-triazole based compounds containing contiguously linked aromatic units were synthesised as G-quadruplex binding ligands. The design of these ligands was based upon combining features of our first generation of G-quadruplex bis-triazole ligands and the natural product telomestatin. The syntheses and biophysical studies of these ligands are described. (C) 2011 Elsevier Ltd. All rights reserved.