1,10-N,N'-bis-[cyclomaltoheptaosyl-6A-deoxy-6A-ureido]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane | 1182838-48-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,10-N,N'-bis-[cyclomaltoheptaosyl-6A-deoxy-6A-ureido]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane
• 英文别名: 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
• CAS: 1182838-48-7
• 化学式: C₉₈H₁₆₄N₄O₇₄
• 分子量: 2582.36
• InChiKey: UOPGNFWCTSKHHB-CBOMZRTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -31.1
• 重原子数：
  176
• 可旋转键数：
  16
• 环数：
  43.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  1170
• 氢给体数：
  42
• 氢受体数：
  74

反应信息

• 作为反应物：
  描述：

  L-赖氨酸 、 1,10-N,N'-bis-[cyclomaltoheptaosyl-6A-deoxy-6A-ureido]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane 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：

  二氮杂18-冠醚-6 、 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 2.0h， 以1.78 g的产率得到1,10-N,N'-bis-[cyclomaltoheptaosyl-6A-deoxy-6A-ureido]-4,7,13,16-tetraoxa-1,10-diazacyclooctadecane
  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

文献信息

• Expeditious synthesis of bis-β-cyclodextrinyl-diazacrown-[2]cryptorotaxanes
  作者：Florence Dumarcay-Charbonnier、Alain Marsura

  DOI：10.1039/c1cc16171g

  日期：——

  An efficient synthesis of original bis-β-cyclodextrin-[2]cryptorotaxanes in moderate to high yields is described. A synthetic approach based on the template-directed self-assembly threading process in aqueous medium gives a structure stabilized exclusively through non-covalent interactions. This procedure reveals a simple and efficient way to prepare highly organized supramolecular receptors from carefully designed subunits.

  描述了一种高效合成原始双β-环糊精-[2]加密旋转桶的方法，产率中等至高。基于模板引导的自组装穿线过程的合成方法在水相中进行，形成的结构仅通过非共价相互作用稳定。该程序展示了一种简单高效的方式，从精心设计的单元制备高度有序的超分子受体。
• Singular supramolecular self-assembling of bis-cyclodextrinyl-bis-lariat hosts with metal bis-aryl-sulfonates as guests
  作者：Florence Dumarçay-Charbonnier、Jean Pierre Joly、Alain Marsura

  DOI：10.1039/c5nj02327k

  日期：——

  Interlocked [2]rotaxanes were built from bis-cyclodextrinyl-bis lariats (CD-Ls) and bis-aryl sulfonates by a spontaneous dual cation/anion self-assembling process. Original CD-L's have been synthesized in high yield by a one step “click” or Staudinger–Aza-Wittig (SAW) coupling reaction.

  使用双重阳离子/阴离子自组装过程，通过双环糊精基双鞍环 (CD-Ls) 和双芳基磺酸盐构建了交错的[2]轮烷。原始的CD-Ls通过一步“点击”或Staudinger-Aza-Wittig (SAW)偶联反应高产率合成。
• 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.