di-tert-butyl 7-(2-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)ethyl)-1,4,7-triazonane-1,4-dicarboxylate | 1351530-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: di-tert-butyl 7-(2-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)ethyl)-1,4,7-triazonane-1,4-dicarboxylate
• CAS: 1351530-33-0
• 化学式: C₃₆H₆₅N₃O₆
• 分子量: 635.929
• InChiKey: OTKJVMWVIGQJBJ-QGLGPCELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.13
• 重原子数：
  45.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  88.62
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  di-tert-butyl 7-(2-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)ethyl)-1,4,7-triazonane-1,4-dicarboxylate 、 三氟乙酸 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  TACN-containing cationic lipids with ester bond: Preparation and application in gene delivery

  摘要：

  A series of novel cationic lipids based on 1,4,7-triazacyclononane (TACN) with different hydrophobic chains were synthesized via the formation of a biodegradable ester bond. These lipids were found to have good buffering capacity at the pH range of 5.0-6.5, which is similar to that of the acidic endosomal compartments. The liposomes formed from these lipids and DOPE could condense DNA into nanoparticles with proper sizes. In vitro experiments showed moderate to good gene transfection efficiency of the formed lipoplexes. The structure-activity relationships of this type of lipids were discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.098
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 4-二甲氨基吡啶 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 di-tert-butyl 7-(2-(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)ethyl)-1,4,7-triazonane-1,4-dicarboxylate
  参考文献：
  名称：

  TACN-containing cationic lipids with ester bond: Preparation and application in gene delivery

  摘要：

  A series of novel cationic lipids based on 1,4,7-triazacyclononane (TACN) with different hydrophobic chains were synthesized via the formation of a biodegradable ester bond. These lipids were found to have good buffering capacity at the pH range of 5.0-6.5, which is similar to that of the acidic endosomal compartments. The liposomes formed from these lipids and DOPE could condense DNA into nanoparticles with proper sizes. In vitro experiments showed moderate to good gene transfection efficiency of the formed lipoplexes. The structure-activity relationships of this type of lipids were discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.098