1,4,11,14,17,24,29,36-Octazapentacyclo[12.12.12.26,9.219,22.231,34]tetratetraconta-4,6,8,10,17,19(42),20,22(41),23,29,31,33,35,39,43-pentadecaene | 119142-70-0

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,4,11,14,17,24,29,36-Octazapentacyclo[12.12.12.26,9.219,22.231,34]tetratetraconta-4,6,8,10,17,19(42),20,22(41),23,29,31,33,35,39,43-pentadecaene
• CAS: 119142-70-0
• 化学式: C₃₆H₄₂N₈
• 分子量: 586.783
• InChiKey: IIHNCQDLDWCWLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  44
• 可旋转键数：
  0
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,4,11,14,17,24,29,36-Octazapentacyclo[12.12.12.26,9.219,22.231,34]tetratetraconta-4,6,8,10,17,19(42),20,22(41),23,29,31,33,35,39,43-pentadecaene 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以0.42 g的产率得到6,16,2,5-tribenzena(1,4)-1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosaphane
  参考文献：
  名称：

  Evaluation of dicopper azacryptand complexes in aqueous CuAAC reactions and their tolerance toward biological thiols

  摘要：

  二铜氮杂环戊烷的催化活性在水中和生物硫醇存在下进行了评估。

  DOI：

  10.1039/c9dt00724e
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 对苯二甲醛 以 乙腈 为溶剂， 反应 24.0h， 生成 1,4,11,14,17,24,29,36-Octazapentacyclo[12.12.12.26,9.219,22.231,34]tetratetraconta-4,6,8,10,17,19(42),20,22(41),23,29,31,33,35,39,43-pentadecaene
  参考文献：
  名称：

  双核铜 (II) 穴状化合物对乙腈的 C-C 键裂解

  摘要：

  双核铜 (II) 穴状化合物 [Cu2L](ClO4)4 (1) 在室温下裂解乙腈的 CC 键，生成 [Cu2L(CN)](ClO4)3.2CH3CN.4H2O (2) 的氰化物桥连络合物。裂解机理分别基于 2 的晶体结构、电子吸收光谱、ESI-MS 光谱和 1 的 GC 光谱的结果。

  DOI：

  10.1021/ja031874z

文献信息

• Dynamic polyimine macrobicyclic cryptands – self-sorting with component selection
  作者：Michał Kołodziejski、Artur R. Stefankiewicz、Jean-Marie Lehn

  DOI：10.1039/c8sc04598d

  日期：——

  macrobicyclic cryptand-type organic cages display remarkable self-sorting behavior with efficient component selection. Making use of the dynamic covalent chemistry approach, eight different cages were synthesized by condensation of tris(2-aminopropyl)amine with structurally different dialdehydes. A series of self-sorting experiments were first carried out on simple dynamic covalent libraries. They reveal

  自组装大双环隐窝型有机笼显示出显着的自分类行为和有效的成分选择。利用动态共价化学方法，通过三（2-氨基丙基）胺与结构不同的二醛缩合合成了八种不同的笼。首先在简单的动态共价库上进行了一系列自分类实验。他们揭示了醛组分的不同结构特征对与两个三胺封端单元的缩合的影响。随后，在涉及几个二醛构件的更复杂的系统上进行了自分类实验。总之，获得的结果描述了杂原子的存在、静电相互作用、离域和组件形成大环双环笼的倾向的柔韧性/刚度。在催化量的酸存在下，大双环结构经历动态组分交换。
• BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY
  申请人：Whiteford Jeffery A.

  公开号：US20100004218A1

  公开（公告）日：2010-01-07

  A pharmaceutically active agent, a pharmaceutically active agent carrier and method of use thereof are described. In some embodiments, a system may include a composition. The composition may include one or more bridged polycyclic compounds. At least one of the bridged polycyclic compounds may include at least two cyclic groups, and at least two pharmaceutically active agents may be associated with the bridged polycyclic compound. In some embodiments, one or more bridged polycyclic compounds may be administered to a subject to control fluid and/or waste levels.

  描述了一种药用活性剂、一种药用活性剂载体及其使用方法。在一些实施例中，系统可能包括一种组合物。该组合物可能包括一个或多个桥联多环化合物。至少一个桥联多环化合物可能包括至少两个环状基团，并且至少两种药用活性剂可能与桥联多环化合物相关联。在一些实施例中，一个或多个桥联多环化合物可以被用于控制主体的液体和/或废物水平。
• Structural studies on encapsulation of tetrahedral and octahedral anions by a protonated octaaminocryptand cage
  作者：I Ravikumar、P S Lakshminarayanan、E Suresh、Pradyut Ghosh

  DOI：10.3762/bjoc.5.41

  日期：——

  respectively. Encapsulated hydrogen sulfate in complex 2 is "glued" inside the octaprotonated cage of L(1)via four N-H...O and six C-H...O hydrogen bonds whereas encapsulated HSiF(6) (-) in complex 3 has short contacts via six N-H...F and three C-H...F hydrogen bonds with [H(8)L(1)](8+). In the cases of complexes 2 and 3, the cryptand L(1) in octaprotonated state shows monotopic encapsulation of the guest

  无机阴离子如高氯酸盐、硫酸氢盐和六氟硅酸盐与八氨基穴状化合物 L(1)、N(CH(2)CH(2)NHCH(2)-p-xylyl-CH(2) 的质子笼结合的结构方面)NHCH(2)CH(2))(3)N)，进行彻底检查。L(1), [(H(6)L(1))(6+)(ClO(4) (-))]5(ClO(4) (-)).11H 的六质子化高氯酸盐复合物的晶体学结果(2)O.CH(3)CN (1)，L(1) 的八质子化硫酸氢盐络合物，[(H(8)L(1))(8+)(HSO(4) (-))] 7(HSO(4) (-)).3H(2)O.CH(3)OH (2) 和 L(1) 的八质子化氟硅酸盐络合物，[(H(8)L(1))(8+ )(HSiF(6) (-))]3(SiF(6) (2-)).(HSiF(6) (-)).15H(2)O (3)，显示一种高氯酸盐硫酸氢盐的包封和六氟硅酸盐，分别处于质子化状态的 L(1)
• PEEK–WC-Based Mixed Matrix Membranes Containing Polyimine Cages for Gas Separation
  作者：Marcello Monteleone、Riccardo Mobili、Chiara Milanese、Elisa Esposito、Alessio Fuoco、Sonia La Cognata、Valeria Amendola、Johannes C. Jansen

  DOI：10.3390/molecules26185557

  日期：——

  Membrane-based processes are taking a more and more prominent position in the search for sustainable and energy-efficient gas separation applications. It is known that the separation performance of pure polymers may significantly be improved by the dispersion of suitable filler materials in the polymer matrix, to produce so-called mixed matrix membranes. In the present work, four different organic cages were dispersed in the poly(ether ether ketone) with cardo group, PEEK-WC. The m-xylyl imine and furanyl imine-based fillers yielded mechanically robust and selective films after silicone coating. Instead, poor dispersion of p-xylyl imine and diphenyl imine cages did not allow the formation of selective films. The H2, He, O2, N2, CH4, and CO2 pure gas permeability of the neat polymer and the MMMs were measured, and the effect of filler was compared with the maximum limits expected for infinitely permeable and impermeable fillers, according to the Maxwell model. Time lag measurements allowed the calculation of the diffusion coefficient and demonstrated that 20 wt % of furanyl imine cage strongly increased the diffusion coefficient of the bulkier gases and decreased the diffusion selectivity, whereas the m-xylyl imine cage slightly increased the diffusion coefficient and improved the size-selectivity. The performance and properties of the membranes were discussed in relation to their composition and morphology.

  基于膜的过程在寻找可持续和节能的气体分离应用中占据越来越重要的位置。众所周知，通过在聚合物基质中分散适当的填料材料，可以显著提高纯聚合物的分离性能，从而生产所谓的混合基质膜。在这项研究中，四种不同的有机笼被分散在带有卡多基团的聚（醚醚酮）PEEK-WC中。基于m-二甲苯亚胺和呋喃亚胺的填料在硅涂层后产生了机械强韧且选择性良好的薄膜。相反，p-二甲苯亚胺和二苯亚胺笼的分散不良导致无法形成选择性薄膜。测量了纯聚合物和混合基质膜的H2、He、O2、N2、CH4和CO2纯气体渗透性，并根据Maxwell模型将填料的效果与无限渗透和不渗透填料的最大限制进行了比较。时间滞后测量允许计算扩散系数，并表明20 wt %的呋喃亚胺笼显著增加了较大气体的扩散系数，并降低了扩散选择性，而m-二甲苯亚胺笼略微增加了扩散系数并改善了尺寸选择性。讨论了膜的性能和性质与其组成和形态的关系。
• BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS
  申请人：Whiteford Jeffery A.

  公开号：US20100016270A1

  公开（公告）日：2010-01-21

  A pharmaceutically active agent, a pharmaceutically active agent carrier and method of use thereof are described. In some embodiments, a system may include a composition. The composition may include one or more bridged polycyclic compounds. At least one of the bridged polycyclic compounds may include at least two cyclic groups, and at least two pharmaceutically active agents may be associated with the bridged polycyclic compound. In some embodiments, one or more bridged polycyclic compounds may be administered to a subject to improve cardiac and/or cardiovascular health. In some embodiments, one or more bridged polycyclic compounds may be administered to a subject to control cholesterol levels.

  本文描述了一种药理活性剂、药理活性剂载体及其使用方法。在某些实施例中，该系统可能包括一种组合物。该组合物可能包括一个或多个桥接多环化合物。其中至少一个桥接多环化合物可能包括至少两个环状基团，并且至少有两种药理活性剂可能与桥接多环化合物相关联。在某些实施例中，可以向受试者施用一个或多个桥接多环化合物以改善心脏和/或心血管健康。在某些实施例中，可以向受试者施用一个或多个桥接多环化合物以控制胆固醇水平。