[(1,8-diamino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)Cu](2+) | 634190-92-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(1,8-diamino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)Cu](2+)
• 英文别名: (Cu((NH2)2sar))(2+)；[Cu((NH2)2sar)](2+)；copper;3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine
• CAS: 634190-92-4；96164-52-2
• 化学式: C₁₄H₃₄CuN₈
• 分子量: 378.024
• InChiKey: YHEIAZAWRGORSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  戊二酸酐 、 [(1,8-diamino-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)Cu](2+) 以 N,N-二甲基乙酰胺 为溶剂， 生成 、
  参考文献：
  名称：

  A new bifunctional chelator for copper radiopharmaceuticals: a cage amine ligand with a carboxylate functional group for conjugation to peptides

  摘要：

  我们合成了一种带有下垂羧酸官能团的新型石杉碱笼胺配体；该配体与肿瘤靶向肽（[Tyr3]-octreotate 和 [Lys3]-bombesin）共轭，并用铜-64 对共轭物进行了放射性标记。

  DOI：

  10.1039/b903426a
• 作为产物：
  描述：

  盐酸 、 1,8-diamino-3-carboxymethylsarcophagine 、 copper(II) acetate monohydrate 以 水 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Carboxymethylated Cage Amines:  Coordination and Lactamization

  摘要：

  Depending upon the position and degree of substitution, carboxymethyl derivatives of cage amines of the "sarcophagine" (3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane) type vary considerably in the stability of their lactamized forms. For 1,8-diamino-3-carboxymethylsarcophagine, L-1, only indirect evidence for some involvement of a lactamized form of its Ni(II) complex has been obtained. Crystal structure determinations for [Cu(H2L1)]-(NO3)(3.5)Cl-0.5.2.5H(2)O and [Ni(HL1)]Cl-3. 3H(2)O show distorted octahedral coordination of all six endocyclic N-donor atoms in both cases. For related diaminosarcophagine derivatives with either two (1,8; L-2) or three (1,1,8; L-3) carboxymethyl substituents on the exocyclic N atoms, crystallographic studies have shown a dilactam form for the ligands in their Ni(II) and Cu(H) complexes which is of almost identical conformation to that of the diprotonated "free" ligand in [H2L3][ZnCl4]. 6H(2)O. The lactamized ligands appear to strongly favor square planar four-coordination, and the Co(II) complex of Ll shows a remarkable lack of reactivity toward oxygen. Kinetic studies indicate that the hydrolytic stability of the lactam rings is comparable to that of uncoordinated analogues.

  DOI：

  10.1021/ic010049l

文献信息

• Long tailed cage amines: Synthesis, metal complexation, and structure
  作者：Birger Dittrich、Jack M. Harrowfield、George A. Koutsantonis、Gareth L. Nealon、Brian W. Skelton

  DOI：10.1039/b921930g

  日期：——

  involving the reductive alkylation, using long-chain aldehydes, of amino-functionalised sarcophagines when bound to Cu(II) or Mg(II). The Mg(II) pathway is particularly convenient for the ultimate isolation of the free ligands, which can then be used to form metalloamphiphiles with a variety of metal ions. Structural studies have been made of one of the free (protonated) ligands and some of their complexes

  可以通过有效和选择性的反应来制备衍生自“石棺”类别的大双环六胺的两亲物，该反应包括与长链醛键结合时将氨基官能化的石棺的还原烷基化还原成烷基。 铜（II） 或者 镁（II）。这镁（II）该途径对于最终分离游离配体特别方便，然后可以将其用于与各种金属离子形成金属两亲物。已经对一种游离的（质子化的）配体及其某些配合物进行了结构研究。