1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetraazacyclododecane | 127437-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetraazacyclododecane
• 英文别名: 1,4,7,10-tetrakis(1-pyrazolylmethyl)-1,4,7,10-tetraazacyclododecane；1,4,7,10-Tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetrazacyclododecane；1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetrazacyclododecane
• CAS: 127437-24-5
• 化学式: C₂₄H₃₆N₁₂
• 分子量: 492.63
• InChiKey: AOCXZXAMUYVORY-UHFFFAOYSA-N

物化性质

• 沸点：
  674.3±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetraazacyclododecane 以 乙醇 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  De Martino Norante, Guia; Di Vaira, Massimo; Mani, Fabrizio, Inorganic Chemistry, 1990, vol. 29, # 15, p. 2822 - 2829

  摘要：

  DOI：

文献信息

• NITROGEN-RICH MACROCYCLIC LIGANDS, CHELATION COMPLEXES THEREOF, AND PROCESS FOR SELECTIVE CHELATION OF RADIOACTIVE BISMUTH IONS WITH THE LIGANDS
  申请人：Los Alamos National Security, LLC

  公开号：US20150344508A1

  公开（公告）日：2015-12-03

  Selective chelation of bismuth radionuclide ions from a mixture including actinium radionuclide ions involves exposing a ligand to an aqueous solution that includes bismuth radionuclide ions and actinium radionuclide ions under conditions whereby the bismuth radionuclide ions selectively chelate to the ligand for form cationic complexes of the bismuth radionuclide ions. and separating the cationic complexes of the bismuth radionuclide ions from the actinium radionuclide ions. The ligands have a structure based on a 12-membered cyclen ring and may include pendant functional groups that can be derivatized with biological targeting vectors for targeted alpha therapy.

  从包含锕系放射性核素离子的混合物中选择性螯合铋放射性核素离子涉及将配体暴露在包含铋放射性核素离子和锕放射性核素离子的水溶液中，在条件下铋放射性核素离子选择性地螯合到配体上，形成铋放射性核素离子的阳离子络合物，并将铋放射性核素离子的阳离子络合物与锕放射性核素离子分离。这些配体基于一个12元环戊二胺环的结构，并且可能包含可以与生物靶向载体衍生的侧链功能基团，用于靶向α放射疗法。
• Nitrogen-rich macrocyclic ligands, chelation complexes thereof, and process for selective chelation of radioactive bismuth ions with the ligands
  申请人：Los Alamos National Security, LLC

  公开号：US10450336B2

  公开（公告）日：2019-10-22

  Selective chelation of bismuth radionuclide ions from a mixture including actinium radionuclide ions involves exposing a ligand to an aqueous solution that includes bismuth radionuclide ions and actinium radionuclide ions under conditions whereby the bismuth radionuclide ions selectively chelate to the ligand for form cationic complexes of the bismuth radionuclide ions. and separating the cationic complexes of the bismuth radionuclide ions from the actinium radionuclide ions. The ligands have a structure based on a 12-membered cyclen ring and may include pendant functional groups that can be derivatized with biological targeting vectors for targeted alpha therapy.

  从包括锕系元素离子的混合物中选择性地螯合放射性核素铋离子，包括将配体暴露于包括放射性核素铋离子和锕系元素离子的水溶液中，在此条件下，放射性核素铋离子选择性地与配体螯合，形成放射性核素铋离子的阳离子络合物。并将放射性核素铋离子的阳离子络合物与放射性核素锕离子分离。配体具有基于 12 元环的结构，并可包括可与生物靶向载体衍生的悬垂官能团，用于α靶向治疗。
• Complexes formed by ZnII, CdII and HgIIin the presence of the octadentate ligand 1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10-tetraazacyclododecane. X-ray structure of the cadmium complex
  作者：Massimo Di Vaira、Fabrizio Mani、Marco Menicatti、Roberto Morassi、Piero Stoppioni

  DOI：10.1016/s0277-5387(97)00117-4

  日期：1997.1

  The potentially octadentate ligand 1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4 dodecane (L-1) yields with cadmium(II) compounds of formula [CdL1]Y-2 (Y = BPh4, ClO4, PF6) in which the metal ion is coordinated by the eight nitrogen donor atoms of the ligand. The crystal structure of [CdL1] (BPh,), has been determined by X-ray diffraction. With zinc(II) and mercury(II) L-1 affords the compounds [ML2]Y-2 [L-2 = 1,7-bis(pyrazol-1-ylmethyl)-1,4,7,10-tetraazacyclododecane. M = Zn; Y = ClO4, PF6. M = Hg; Y = PF6] where the ligand L-2 originates from L-1 by loss of the methylpyrazole groups from two pendant arms of the macrocycle in trans positions. The compounds have been characterized by H-1 and C-13 NMR data. A variable temperature C-13 NMR study on [CdL1](PF6)(2) suggests that the cation undergoes rearrangements in solution between two geometric isomers. (C) 1997 Elsevier Science Ltd.
• Eight-co-ordination in manganese(II) and iron(II) complexes with a pyrazole-functionalised tetraazamacrocycle
  作者：Massimo Di Vaira、Fabrizio Mani、Piero Stoppioni

  DOI：10.1039/dt9920001127

  日期：——

  The potentially octadentate ligand 1,4,7,10-tetrakis(pyrazol-1-ylmethyl)-1,4,7,10 tetraazacyclododecane (L) gives with manganese(II) the complex [MnL][PF6]2.(CH3)2CO and with iron(II) species of formula [FeLxL'1-x] [PF6]2.solvent where the ligand L' originates from L by substitution of an ethoxy group for a pyrazolyl group in one of the pendant arms of the macrocycle. The crystal structure of [MnL]-[PF6]2.(CH3)2CO has been determined by X-ray diffraction: orthorhombic, space group Pcab, with a 15.801 (6), b = 1 7.973(4), c = 26.793(3) angstrom and Z = 8. The manganese(II) atom is co-ordinated by the eight nitrogen atoms of the L ligand. X-Ray analyses on the isomorphous crystals of the iron(II) species have shown that these contain both eight- and seven-co-ordinate iron(II) in complex cations respectively formed by the L and L' ligands.