(4S,9S,17S,22S)-2,2,24,24-tetraoxo-2lambda6,24lambda6-dithia-3,10,16,23-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),25,27-triene-11,15-dione | 1142953-18-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: (4S,9S,17S,22S)-2,2,24,24-tetraoxo-2lambda6,24lambda6-dithia-3,10,16,23-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),25,27-triene-11,15-dione
• 英文别名: (4S,9S,17S,22S)-2,2,24,24-tetraoxo-2λ6,24λ6-dithia-3,10,16,23-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),25,27-triene-11,15-dione
• CAS: 1142953-18-1
• 化学式: C₂₃H₃₄N₄O₆S₂
• 分子量: 526.678
• InChiKey: JMQVBNNMFFGRJL-TUFLPTIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  35
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  167
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  戊二酰基二氯 、 在 三乙胺 作用下， 以 乙腈 为溶剂， 以28%的产率得到(4S,9S,17S,22S)-2,2,24,24-tetraoxo-2lambda6,24lambda6-dithia-3,10,16,23-tetrazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),25,27-triene-11,15-dione
  参考文献：
  名称：

  Synthesis and anion-binding properties of new disulfonamide-based receptors

  摘要：

  The synthesis of disulfonamide receptor scaffolds for anion binding is reported. Acyclic receptors are found to tightly bind acetate in MeCN-d(3) with dominant 1:1 stoichiometry, a smaller, sequential 1:2 (H+G) association is also found. Constraint of the disulfonamide receptor into macrocycles serves to eliminate the 1:2 binding stoichiometry and X-ray crystal structures of several macrocyclic receptors allow rationalisation of their affinity for acetate binding. L-Valine derived macrocycles maintain tight 1:1 binding of acetate (K-a(1:1) >10(4) M-1) in MeCN-d(3) and display preference for oxyanion binding in more competitive MeCN-d(3)/2% H2O. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.070