(2R,11R,19R,21R)-2,11-bis(1-hydroxyethyl)-1,10-N,N'-bis[cyclomaltoheptaosyl-6^A-deoxy-6^A-ureido]-4,7,13,16-tetraoxa-1,10-diaza-cyclooctadecane

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,11R,19R,21R)-2,11-bis(1-hydroxyethyl)-1,10-N,N'-bis[cyclomaltoheptaosyl-6^A-deoxy-6^A-ureido]-4,7,13,16-tetraoxa-1,10-diaza-cyclooctadecane
• 英文别名: (6R,15R)-6,15-bis[(1R)-1-hydroxyethyl]-7-N,16-N-bis[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
• 化学式: C₁₀₂H₁₇₂N₄O₇₆
• 分子量: 2670.47
• InChiKey: XANCYLRNWAUWLL-RVHJHFNSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -31.4
• 重原子数：
  182
• 可旋转键数：
  18
• 环数：
  43.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  1210
• 氢给体数：
  44
• 氢受体数：
  76

反应信息

• 作为反应物：
  描述：

  (2R,11R,19R,21R)-2,11-bis(1-hydroxyethyl)-1,10-N,N'-bis[cyclomaltoheptaosyl-6^A-deoxy-6^A-ureido]-4,7,13,16-tetraoxa-1,10-diaza-cyclooctadecane 、 L-赖氨酸 以 水 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Bis-β-cyclodextrinyl- and bis-cellobiosyl-diazacrowns: synthesis and molecular complexation behaviors toward Busulfan anticancer agent and two basic aminoacids

  摘要：

  The one-step synthesis of two C-2-symmetric receptors including two beta-cyclodextrin cores or two disaccharidyl units connected by urea linkers to a diazacrown ether organizing platform is reported. The X-ray structure of the peracetylated bis-ureidocellobiosyl podand could be determined. These molecular systems, long thought to be potent selective carriers for chiral/achiral organic guests at the supramolecular level, were found to be efficient complexing tools toward the Busulfan anticancer agent but also toward L-arginine and L-lysine basic aminoacids. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.057
• 作为产物：
  描述：

  (2R,11R)-2,11-bis[(1'R)-1'-hydroxyethyl]-4,7,13,16-tetraoxa-1,10-diaza-cyclooctadecane 、 peracetyl-6-deoxy-6-isocyanato-β-cyclodextrin 在 sodium methylate 作用下， 以 N,N-二甲基甲酰胺 、 甲醇 为溶剂， 反应 26.0h， 以0.125 g的产率得到(2R,11R,19R,21R)-2,11-bis(1-hydroxyethyl)-1,10-N,N'-bis[cyclomaltoheptaosyl-6^A-deoxy-6^A-ureido]-4,7,13,16-tetraoxa-1,10-diaza-cyclooctadecane
  参考文献：
  名称：

  双-β-环糊精假体的合成和包涵体对白消安抗癌剂的合成和包合能力

  摘要：

  报道了C 2对称受体的合成，该受体包括通过尿素接头连接至手性二氮杂-冠醚组织平台的两个β-环糊精。长期以来，人们一直认为该分子系统是手性/非手性有机/无机客体在超分子水平上的有效选择性载体，被发现是对白消安抗癌剂有效的络合工具。

  DOI：

  10.1016/j.tet.2006.10.070

文献信息

• Bis-β-cyclodextrinyl- and bis-cellobiosyl-diazacrowns: synthesis and molecular complexation behaviors toward Busulfan anticancer agent and two basic aminoacids
  作者：Stanislaw Porwanski、Florence Dumarcay-Charbonnier、Stéphane Menuel、Jean-Pierre Joly、Veronique Bulach、Alain Marsura

  DOI：10.1016/j.tet.2009.05.057

  日期：2009.8

  The one-step synthesis of two C-2-symmetric receptors including two beta-cyclodextrin cores or two disaccharidyl units connected by urea linkers to a diazacrown ether organizing platform is reported. The X-ray structure of the peracetylated bis-ureidocellobiosyl podand could be determined. These molecular systems, long thought to be potent selective carriers for chiral/achiral organic guests at the supramolecular level, were found to be efficient complexing tools toward the Busulfan anticancer agent but also toward L-arginine and L-lysine basic aminoacids. (C) 2009 Elsevier Ltd. All rights reserved.
• Synthesis and inclusion ability of a bis-β-cyclodextrin pseudo-cryptand towards Busulfan anticancer agent
  作者：Stéphane Menuel、Jean-Pierre Joly、Blandine Courcot、Josias Elysée、Nour-Eddine Ghermani、Alain Marsura

  DOI：10.1016/j.tet.2006.10.070

  日期：2007.2

  The synthesis of a C2-symmetric receptor including two β-cyclodextrins connected by urea linkers to a chiral diaza-crown ether organising platform is reported. This molecular system, long thought to be a potent selective carrier for chiral/achiral organic/inorganic guests at the supramolecular level, was found to be an efficient complexing tool towards the Busulfan anticancer agent.

  报道了C 2对称受体的合成，该受体包括通过尿素接头连接至手性二氮杂-冠醚组织平台的两个β-环糊精。长期以来，人们一直认为该分子系统是手性/非手性有机/无机客体在超分子水平上的有效选择性载体，被发现是对白消安抗癌剂有效的络合工具。