| 162614-26-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 162614-26-8
• 化学式: C₂₇H₃₆N₁₄
• 分子量: 556.677
• InChiKey: MFDDNVNQRCUONZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  41.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  166.68
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 反应 14.0h， 生成 1,4,7,8,11,14,17,20,21,24,29,32,33,36-tetradecaazapentacyclo[12.12.12.1(6,9).1(19,22).1(31,34)]hentetraconta-6,9(41),19(40),21,31,34(39)-hexaene octahydrochloride
  参考文献：
  名称：

  In Vitro and in Vivo Trypanosomicidal Activity of Pyrazole-Containing Macrocyclic and Macrobicyclic Polyamines: Their Action on Acute and Chronic Phases of Chagas Disease

  摘要：

  The in vitro and in vivo anti-Trypanosoma cruzi activity of the pyrazole-containing macrobicyclic polyamine 1 and N-methyl- and N-benzyl-substituted monocyclic polyamines 2 and 3 was studied. Activity against both the acute and chronic phases of Chagas disease was considered. The compounds were more active against the parasite and less toxic against Vero cells than the reference drug benznidazole, but 1 and 2 were especially effective, where cryptand 1 was the most active, particularly in the chronic phase. The activity results found for these compounds were complemented and discussed by considering their inhibitory effect on the iron superoxide dismutase enzyme of the parasite, the nature of the metabolites excreted after treatment, and the ultrastructural alterations produced. A complementary histopathological analysis confirmed that the compounds tested were significantly less toxic to mammals than the reference drug and that 1 and 2 exhibited lower levels of damage than 3.

  DOI：

  10.1021/jm2017144
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 3,5-(1H)-吡唑二甲醛 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  In Vitro and in Vivo Trypanosomicidal Activity of Pyrazole-Containing Macrocyclic and Macrobicyclic Polyamines: Their Action on Acute and Chronic Phases of Chagas Disease

  摘要：

  The in vitro and in vivo anti-Trypanosoma cruzi activity of the pyrazole-containing macrobicyclic polyamine 1 and N-methyl- and N-benzyl-substituted monocyclic polyamines 2 and 3 was studied. Activity against both the acute and chronic phases of Chagas disease was considered. The compounds were more active against the parasite and less toxic against Vero cells than the reference drug benznidazole, but 1 and 2 were especially effective, where cryptand 1 was the most active, particularly in the chronic phase. The activity results found for these compounds were complemented and discussed by considering their inhibitory effect on the iron superoxide dismutase enzyme of the parasite, the nature of the metabolites excreted after treatment, and the ultrastructural alterations produced. A complementary histopathological analysis confirmed that the compounds tested were significantly less toxic to mammals than the reference drug and that 1 and 2 exhibited lower levels of damage than 3.

  DOI：

  10.1021/jm2017144

文献信息

• From isolated 1H-pyrazole cryptand anion receptors to hybrid inorganic–organic 1D helical polymeric anion receptors
  作者：Javier Pitarch-Jarque、Raquel Belda、Laura García-España、José M. Llinares、FangFang Pan、Kari Rissanen、Pilar Navarro、Enrique García-España

  DOI：10.1039/c5dt00763a

  日期：——

  We report a 1-D helical coordination polymer formed by protonated polyamine 1H-pyrazole cryptands interconnected by Cu²⁺metal ions that are able to encapsulate chloride anions behaving as a multianion receptor.

  我们报告了一种由质子化的多胺1H-吡唑加密体通过Cu2+金属离子相互连接形成的一维螺旋协同聚合物，能够封装氯离子并表现出多阳离子受体的特性。