1,3,6,8,10,13,16,19-octazabicyclo[6,6,6]eicosane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,3,6,8,10,13,16,19-octazabicyclo[6,6,6]eicosane
• 英文别名: 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane；1,3,6,8,10,13,16,19-Octaazabicyclo[6.6.6]icosane；1,3,6,8,10,13,16,19-octazabicyclo[6.6.6]icosane
• 化学式: C₁₂H₃₀N₈
• 分子量: 286.424
• InChiKey: UUGRFRITTVBJHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  78.7
• 氢给体数：
  6
• 氢受体数：
  8

文献信息

• MACROCYCLES, COBALT AND IRON COMPLEXES OF SAME, AND METHODS OF MAKING AND USING SAME
  申请人：The Research Foundation for The State University of New York

  公开号：US20160228581A1

  公开（公告）日：2016-08-11

  Provided are macrocyclic compounds and iron or cobalt coordinated macrocyclic compounds. The compounds can be used as MRI contrast agents. Certain compounds are redox active and can be used to assess the biological redox status of a sample.

  提供的是大环化合物以及铁或钴配位的大环化合物。这些化合物可以用作MRI对比剂。某些化合物是氧化还原活性的，可以用于评估样品的生物氧化还原状态。
• Chelants
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0481526A1

  公开（公告）日：1992-04-22

  There are provided polychelants and their metal chelates which are useful in diagnostic imaging and in radiotherapy and which comprise a plurality of macrocyclic chelant moieties, e.g. DOTA residues, conjugated to a polyamine backbone molecule, e.g. polylysine. To produce a site-specific polychelate, one or more of the macrocyclic chelant carrying backbone molecules may be conjugated to a site-directed macromolecule, e.g. a protein.

  本发明提供了可用于诊断成像和放射治疗的聚螯合剂及其金属螯合物，它们由多个大环螯合剂分子（如 DOTA 残基）与多胺骨架分子（如聚赖氨酸）连接而成。为了生产定点多螯合物，可将一个或多个携带骨架的大环螯合剂分子与定点大分子（如蛋白质）连接。
• Oxidation catalytic system and process for producing ketoisophorone using the same
  申请人：Daicel Chemical Industries, Ltd.

  公开号：EP0962440A1

  公开（公告）日：1999-12-08

  In the presence of a catalytic system comprising a cyclic base and a complex of a transition metal with an N,N'-disalicylidenediamine, ketoisophorone or a derivative thereof is produced by oxidizing β-isophorone or a derivative thereof with molecular oxygen with controlling the water content of a reaction system to 1% by weight or less at the initial stage of the reaction. Moreover, the above catalytic system further comprises a basic nitrogen-containing compound. The complex may be an N,N'-disalicylidene C2-5 alkylenediamine complex with manganese, iron, cobalt, copper, or vanadium. The cyclic base may be an alicyclic or aromtaic compound having at least two nitrogen atoms. As the basic nitrogen-containing compound, a Schiff base such as an imino compound and an anil compound can be used. The proportion of the nitrogen-containing compound to the complex is about 0.1/1 to 20/1 (molar ratio). With the above oxydation catalytic system, there can be obtained ketoisophorone and derivatives thereof with high efficiency.

  在由环状碱和过渡金属与 N,N'-二水杨醛二胺的络合物组成的催化体系存在下，通过在反应初始阶段将反应体系中的水含量控制在 1%（重量）或以下，用分子氧氧化 β-异佛尔酮或其衍生物，生成酮异佛尔酮或其衍生物。此外，上述催化体系还包括一种碱性含氮化合物。该络合物可以是 N,N'-二水杨醛 C2-5 烷二胺与锰、铁、钴、铜或钒的络合物。环状碱可以是具有至少两个氮原子的脂环族或芳香族化合物。作为基本的含氮化合物，可以使用希夫碱，如亚胺化合物和苯胺化合物。含氮化合物与络合物的比例约为 0.1/1 至 20/1（摩尔比）。利用上述氧化催化体系，可以高效地获得酮基异佛尔酮及其衍生物。
• CHELANTS
  申请人：SALUTAR, INC.

  公开号：EP0474642A1

  公开（公告）日：1992-03-18
• DENDRIMERIC POLYCHELANTS
  申请人：NYCOMED SALUTAR, INC.

  公开号：EP0607222A1

  公开（公告）日：1994-07-27