5,17-bis-phenyl(phenylsulfonylimino)methylamino-11,23-di-tert-butyl-25,27-dipropoxy-26,28-dihydroxycalix[4]arene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5,17-bis-phenyl(phenylsulfonylimino)methylamino-11,23-di-tert-butyl-25,27-dipropoxy-26,28-dihydroxycalix[4]arene
• 英文别名: N'-(benzenesulfonyl)-N-[17-[[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]amino]-11,23-ditert-butyl-26,28-dihydroxy-25,27-dipropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]benzenecarboximidamide
• 化学式: C₆₈H₇₂N₄O₈S₂
• 分子量: 1137.47
• InChiKey: JWQBZSXHQJIVNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  82
• 可旋转键数：
  18
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  193
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5,17-diamino-11,23-di-tert-butyl-25,27-dipropoxy-26,28-dihydroxycalix[4]arene 、 N-(氯苯基亚甲基)-苯磺酰胺 在 三乙胺 作用下， 以 苯 为溶剂， 反应 16.0h， 以40%的产率得到5,17-bis-phenyl(phenylsulfonylimino)methylamino-11,23-di-tert-butyl-25,27-dipropoxy-26,28-dihydroxycalix[4]arene
  参考文献：
  名称：

  Calix[4]arenesulfonylamidines. Synthesis, structure and influence on Mg2+, ATP-dependent calcium pumps

  摘要：

  Calix[4]arenes, functionalized at the wide rim with two or four N-2-sulfonylamidine groups were prepared. In the crystalline state, the bowl shaped calix [4]arene-bis-N-sulfonyltrifluoromethylacetamidine 3b is associated through intermolecular hydrogen bonds, (NHO)-O-...=S, while the phenyl rings of the Ph-SO2-fragments are hosted in the cavities of the nearby molecules of 3b. Calixarene 4b influences Ca2+ transport in Mg2+, ATP-dependent calcium pumps. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.07.069

文献信息

• Calix[4]arenesulfonylamidines. Synthesis, structure and influence on Mg2+, ATP-dependent calcium pumps
  作者：Roman Rodik、Vyacheslav Boiko、Oksana Danylyuk、Kinga Suwinska、Ivan Tsymbal、Natalya Slinchenko、Lidiya Babich、Sergiy Shlykov、Sergiy Kosterin、Janusz Lipkowski、Vitaly Kalchenko

  DOI：10.1016/j.tetlet.2005.07.069

  日期：2005.10

  Calix[4]arenes, functionalized at the wide rim with two or four N-2-sulfonylamidine groups were prepared. In the crystalline state, the bowl shaped calix [4]arene-bis-N-sulfonyltrifluoromethylacetamidine 3b is associated through intermolecular hydrogen bonds, (NHO)-O-...=S, while the phenyl rings of the Ph-SO2-fragments are hosted in the cavities of the nearby molecules of 3b. Calixarene 4b influences Ca2+ transport in Mg2+, ATP-dependent calcium pumps. (c) 2005 Elsevier Ltd. All rights reserved.