17b,17c-Dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno<1'',6'':5,6,7; 3'',4'',:5',6',7'>dicycloocta<1,2,3-de:1',2',3''-d'e'>dinaphthalene-8,17-dione | 146443-43-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 17b,17c-Dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno<1'',6'':5,6,7; 3'',4'',:5',6',7'>dicycloocta<1,2,3-de:1',2',3''-d'e'>dinaphthalene-8,17-dione
• 英文别名: 17b,17c-dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno<1'',6'':5,6,7:3'',4'':5',6',7'>dicycloocta<1,2,3-de:1',2',3'-d'e'>dinaphthalene-8,17-dione；17b,17c-dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno[1",6":5,6,7;3",4":5',6',7']dicycloocta[1,2,3-de:1',2',3'-d'e']dinaphthalene-8,17-dione；17b,17c-dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno[1'',6'':5,6,7:3'',4'':5',6',7']dicycloocta(1,2,3-de:1',2',3'-d'e')dinaphthalene-8,17-dione；9,15,23,29-Tetrahydroxy-4,5-diphenyl-3,6,18,20-tetrazaoctacyclo[20.7.1.13,6.18,12.04,20.05,18.026,30.016,31]dotriaconta-1(29),8,10,12(31),13,15,22,24,26(30),27-decaene-19,32-dione
• CAS: 146443-43-8
• 化学式: C₄₀H₃₀N₄O₆
• 分子量: 662.701
• InChiKey: LONMNZUKRMEZKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  50
• 可旋转键数：
  2
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  17b,17c-Dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno<1'',6'':5,6,7; 3'',4'',:5',6',7'>dicycloocta<1,2,3-de:1',2',3''-d'e'>dinaphthalene-8,17-dione 、 3,4,5-tri(decyloxy)benzoyl chloride 在 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.0h， 以40%的产率得到17b,17c-dihydro-1,6,10,15-tetrakis[(3,4,5-tridecyloxy)benzoyloxy]-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno[1",6":5,6,7;3",4":5',6',7']dicycloocta[1,2,3-de:1',2',3'-d'e']dinaphthalene-8,17-dione
  参考文献：
  名称：

  Induction of liquid-crystallinity in molecular clips by binding of different guest molecules

  摘要：

  使用基于联苯和 二甲基甘脲 描述了作为液晶材料的构建块。这 合成是通过羟基衍生片段的酯化进行的 分子与三烷氧基苯甲酰氯。 1H NMR 滴定 表明这些分子尽管空间拥挤，仍然能够 结合裂缝中的客体分子。剪辑分子显示没有 液晶特性，除了基于二甲基甘脲的那些。 然而，具有至少十个碳原子的烷基链的剪辑显示 客体分子结合后的液晶行为，这可以 通过客体分子的取代基进行调节。

  DOI：

  10.1039/a700936d
• 作为产物：
  描述：

  1,6:3,4-bis(2-oxapropylene)tetrahydro-3a,6a-diphenylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione 在 四氯化锡 氯化亚砜 、 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 19.5h， 生成 17b,17c-Dihydro-1,6,10,15-tetrahydroxy-17b,17c-diphenyl-7H,8H,9H,16H,17H,18H-7a,8a,16a,17a-tetraazapentaleno<1'',6'':5,6,7; 3'',4'',:5',6',7'>dicycloocta<1,2,3-de:1',2',3''-d'e'>dinaphthalene-8,17-dione
  参考文献：
  名称：

  衍生自二苯基甘脲的凹型受体的合成

  摘要：

  描述了用于合成凹形受体分子的改进的合成方法。这些受体由二苯基甘氨酰脲单元构成，其两侧是两个芳族部分。最通用的合成方法包括路易斯酸催化的二苯基甘脲的四（氯甲基）衍生物与适当的苯或萘衍生物的反应。

  DOI：

  10.1002/recl.19931121207

文献信息

• A molecular clip that binds aromatic guests by an induced-fit mechanism
  作者：R. P. Sijbesma、Sybren S. Wijmenga、R. J. M. Nolte

  DOI：10.1021/ja00051a013

  日期：1992.12

  The conformational behavior and binding properties of a novel molecular receptor consisting of a diphenylglycoluril unit flanked by two 2,7-disubstituted naphthalene rings is described. The molecule appears in three conformations. These conformations differ in the way that the naphthalene rings are oriented with respect to the two phenyl groups on the concave side of the glycoluril moiety, viz. anti-anti, syn-anti, and syn-syn. The receptor is able to change from one conformation to another by flipping the naphthalene walls. The mechanism and the rate constants for this process were determined by 2D EXSY NMR techniques. One of the three conformations contains a cavity, within which aromatic guest molecules of appropriate size can be bound selectively.
• Tunable Supramolecular Structures from Clips and Baskets Derived from Glycoluril
  作者：Johanna L. M. van Nunen、Ralph S. A. Stevens、Stephen J. Picken、Roeland J. M. Nolte

  DOI：10.1021/ja00098a059

  日期：1994.9
• MOLECULAR TWEEZERS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：The Regents of the University of California

  公开号：EP2403859B1

  公开（公告）日：2017-05-03
• MOLECULAR TWEEZERS FOR THE TREATMENT OF AMYLOID-RELATED DISEASES
  申请人：Bitan Gal

  公开号：US20120108548A1

  公开（公告）日：2012-05-03

  This invention provides novel compositions to inhibit the aggregation of amyloid proteins. In various embodiments the compositions comprise a molecular tweezers that binds lysine and/or arginine and thereby inhibits the aggregation of amyloidogenic proteins.
• US8791092B2
  申请人：——

  公开号：US8791092B2

  公开（公告）日：2014-07-29