(2-Amino-ethyl)-[2-[(2-amino-ethylamino)-methyl]-7-(2-methyl-4-nitro-imidazol-1-yl)-heptyl]-amine | 327065-23-6

• 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-Amino-ethyl)-[2-[(2-amino-ethylamino)-methyl]-7-(2-methyl-4-nitro-imidazol-1-yl)-heptyl]-amine
• 英文别名: N,N'-bis(2-aminoethyl)-2-[5-(2-methyl-4-nitroimidazol-1-yl)pentyl]propane-1,3-diamine
• CAS: 327065-23-6
• 化学式: C₁₆H₃₃N₇O₂
• 分子量: 355.484
• InChiKey: IBNQFRNAXJDBBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  丙烯酸甲酯（MA） 、 (2-Amino-ethyl)-[2-[(2-amino-ethylamino)-methyl]-7-(2-methyl-4-nitro-imidazol-1-yl)-heptyl]-amine 以 甲醇 为溶剂， 以15%的产率得到10-[5-(2-methyl-4-nitroimidazolyl)pentyl]-2-cyclam
  参考文献：
  名称：

  Nitroimidazoles and hypoxia imaging: synthesis of three technetium-99m complexes bearing a nitroimidazole group: biological results

  摘要：

  Several Tc-99m complexes were synthesized, substituted with a nitroimidazole group, in order to visualize hypoxic tissues. The complexes were tested on rats (isolated hearts) and showed no significant uptake under hypoxic conditions. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00593-x
• 作为产物：
  描述：

  Methanesulfonic acid 7-[tert-butoxycarbonyl-(2-tert-butoxycarbonylamino-ethyl)-amino]-6-{[tert-butoxycarbonyl-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl}-heptyl ester 在 盐酸 、 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 (2-Amino-ethyl)-[2-[(2-amino-ethylamino)-methyl]-7-(2-methyl-4-nitro-imidazol-1-yl)-heptyl]-amine
  参考文献：
  名称：

  Nitroimidazoles and hypoxia imaging: synthesis of three technetium-99m complexes bearing a nitroimidazole group: biological results

  摘要：

  Several Tc-99m complexes were synthesized, substituted with a nitroimidazole group, in order to visualize hypoxic tissues. The complexes were tested on rats (isolated hearts) and showed no significant uptake under hypoxic conditions. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00593-x

文献信息

• Nitroimidazoles and hypoxia imaging: synthesis of three technetium-99m complexes bearing a nitroimidazole group: biological results
  作者：Françoise Riché、Amaury du Moulinet d'Hardemare、Sandrine Sèpe、Laurent Riou、Daniel Fagret、Michel Vidal

  DOI：10.1016/s0960-894x(00)00593-x

  日期：2001.1

  Several Tc-99m complexes were synthesized, substituted with a nitroimidazole group, in order to visualize hypoxic tissues. The complexes were tested on rats (isolated hearts) and showed no significant uptake under hypoxic conditions. (C) 2000 Elsevier Science Ltd. All rights reserved.