mono-6-deoxy-6-(1,2-diamino)-β-cyclodextrin | 138208-21-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-deoxy-6-(1,2-diamino)-β-cyclodextrin
• 英文别名: (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)-5-[(2-aminoanilino)methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• CAS: 138208-21-6
• 化学式: C₄₈H₇₆N₂O₃₄
• 分子量: 1225.12
• InChiKey: MYOQDKOLILCXIN-IHHCOHTPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.3
• 重原子数：
  84
• 可旋转键数：
  9
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  572
• 氢给体数：
  22
• 氢受体数：
  36

反应信息

• 作为反应物：
  描述：

  5,5-二羟基六氢嘧啶-2,4,6-三酮 、 mono-6-deoxy-6-(1,2-diamino)-β-cyclodextrin 在 盐酸 作用下， 以 水 为溶剂， 反应 0.25h， 以25%的产率得到6-(10-N-isoalloxazinomethyl)-β-cyclodextrin
  参考文献：
  名称：

  Artificial redox enzymes. 1. Synthetic strategies

  摘要：

  Organic models of flavoenzymes consist of a binding site covalently attached to a flavin derivative acting as the catalytic site. The earlier reported synthesis of such a model using alpha-cyclodextrin as the binding site proved to be difficult to reproduce with beta-cyclodextrin. The synthetic strategy involved attaching a fully constructed riboflavin onto a cyclodextrin by a nucleophilic reaction. Riboflavin was found to decompose under the reaction conditions. A new method for the synthesis of flavocyclodextrins involving construction of the flavin moiety onto cyclodextrin is convenient and can be used to synthesize 6-flavocyclodextrins and 2-flavocyclodextrins.

  DOI：

  10.1021/jo00027a031
• 作为产物：
  描述：

  单-6-碘-6-脱氧-β-环糊精 、 邻苯二胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以94%的产率得到mono-6-deoxy-6-(1,2-diamino)-β-cyclodextrin
  参考文献：
  名称：

  Artificial redox enzymes. 1. Synthetic strategies

  摘要：

  Organic models of flavoenzymes consist of a binding site covalently attached to a flavin derivative acting as the catalytic site. The earlier reported synthesis of such a model using alpha-cyclodextrin as the binding site proved to be difficult to reproduce with beta-cyclodextrin. The synthetic strategy involved attaching a fully constructed riboflavin onto a cyclodextrin by a nucleophilic reaction. Riboflavin was found to decompose under the reaction conditions. A new method for the synthesis of flavocyclodextrins involving construction of the flavin moiety onto cyclodextrin is convenient and can be used to synthesize 6-flavocyclodextrins and 2-flavocyclodextrins.

  DOI：

  10.1021/jo00027a031

文献信息

• DNA Binding and DNA Cleavage Activities of Newly Synthesized Co
  作者：Ananya Das、Dipu Kumar Mishra、Pritika Gurung、Vikas Kumar Dakua、Biswajit Sinha

  DOI：10.1071/ch20314

  日期：——

  CoII and CuII ions were synthesized using a novel β-cyclodextrin based azo-functionalized Schiff base as a ligand. The Schiff base and its metal complexes were characterized by different physico-chemical and spectroscopic methods. From the analyses of the experimental data, distorted octahedral geometry has been assigned for both the metal complexes. The binding interactions between the metal complexes

  两种与Co II和Cu II形成的水溶性络合物使用新型的基于β-环糊精的偶氮官能化席夫碱作为配体合成离子。Schiff碱及其金属配合物通过不同的物理化学和光谱方法表征。通过对实验数据的分析，已为两种金属配合物指定了扭曲的八面体几何形状。通过热变性研究和粘度测量以及电子吸收和荧光光谱法研究了金属络合物和DNA之间的结合相互作用。还通过使用pBR DNA的琼脂糖凝胶电泳研究了金属配合物的DNA切割功效。这些研究表明，两种金属配合物均遵循与小牛胸腺（CT）-DNA结合的插入模式，并且还有效切割了超螺旋pBR DNA。公司II复杂，但是，更有效地裂解CT-DNA比的Cu II络合物作为作为实验结果而言得多。
• Selective mono- and bis-condensations of isophthalaldehyde derivative with 6-(o-aminoanilino)cyclodextrins
  作者：De-Qi Yuan、Kahee Fujita、Hidefumi Mizushima、Masatoshi Yamaguchi

  DOI：10.1039/a705506d

  日期：——

  Selective mono- and bis-condensations of an isophthalaldehyde derivative with a stoichiometric amount of 6-(o-aminoanilino)-α- (or β-) cyclodextrin to afford 2-(formylphenyl)benzimidazole-pendant α- (or β-) cyclodextrin and bisbenzimidazole-bridged homo- or hetero-dimers of cyclodextrins are described.

  本研究描述了一种间苯二甲醛衍生物与一定量的 6-（邻氨基苯胺基）-α-（或 β-）环糊精的选择性单缩合和双缩合反应，从而得到 2-（甲酰基苯基）苯并咪唑悬垂的 α-（或 β-）环糊精和双苯并咪唑桥接的环糊精同二聚体或异二聚体。
• Artificial redox enzymes. 1. Synthetic strategies
  作者：Ding Rong、Hongping Ye、Todd R. Boehlow、Valerian T. D'Souza

  DOI：10.1021/jo00027a031

  日期：1992.1

  Organic models of flavoenzymes consist of a binding site covalently attached to a flavin derivative acting as the catalytic site. The earlier reported synthesis of such a model using alpha-cyclodextrin as the binding site proved to be difficult to reproduce with beta-cyclodextrin. The synthetic strategy involved attaching a fully constructed riboflavin onto a cyclodextrin by a nucleophilic reaction. Riboflavin was found to decompose under the reaction conditions. A new method for the synthesis of flavocyclodextrins involving construction of the flavin moiety onto cyclodextrin is convenient and can be used to synthesize 6-flavocyclodextrins and 2-flavocyclodextrins.