6-(carboxymethylthio)-6-deoxy-β-cyclodextrin | 148788-52-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: 6-(carboxymethylthio)-6-deoxy-β-cyclodextrin
• 英文别名: 2-[[(1S,3R,5R,6S,8S,10S,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-5,15,20,25,30,35-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-10-yl]methylsulfanyl]acetic acid
• CAS: 148788-52-7
• 化学式: C₄₄H₇₂O₃₆S
• 分子量: 1209.1
• InChiKey: BLLWBCVCSAMOPL-GUEPXOIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -14.1
• 重原子数：
  81
• 可旋转键数：
  10
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  596
• 氢给体数：
  21
• 氢受体数：
  37

反应信息

• 作为反应物：
  描述：

  6-deoxy-6-(L-histidylamino)-β-cyclodextrin 、 6-(carboxymethylthio)-6-deoxy-β-cyclodextrin 在 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 以66%的产率得到βCβH
  参考文献：
  名称：

  Homotropic cooperativity of cyclodextrin dimer as an artificial hydrolase

  摘要：

  Three kinds of cyclodextrin (CD) dimer (one homo-dimer of beta-CD and two types of hetero-dimer of alpha-CD and beta-CD) were synthesized as artificial hydrolases. The initial rates of the cleavage reaction of p-nitrophenyl methoxyethoxyethoxyacetate (8) by each of the three dimers were measured under the condition of excess of substrate at 25 degrees C in a pH 7.4 phosphate buffer solution. In a plot of initial rate against concentration of the substrate, the reaction with the homo-dimer (beta C beta H 5) gave a sigmoidal curve, whereas the reaction with either of the hetero-dimers gave a simple hyperbolic curve. Only beta C beta H 5 showed homotropic cooperativity, with a Hill constant of 1.8. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2010.06.005
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 6-(carboxymethylthio)-6-deoxy-β-cyclodextrin
  参考文献：
  名称：

  Akiie, Toshiyuki; Nagano, Yuichi; Yamamoto, Yukinori, Chemistry Letters, 1994, # 6, p. 1089 - 1092

  摘要：

  DOI：

文献信息

• The Thin Film of Fluorine-containing Polymer Having Cyclodextrin Prepared by Langmuir-Blodgett Technique
  作者：Masanori Tamura、Akira Sekiya

  DOI：10.1246/cl.1992.1313

  日期：1992.7

  Polyallylamine modified with perfluoroalkyl groups was spread by Langmuir-Blodgett technique and reacted on the aqueous solution of a cyclodextrin derivative. The cyclodextrin moiety was first introduced to the thin film of fluorine-containing polymer. The film of the polymer having the cyclodextrin moiety was characterized.

  用全氟烷基改性的聚烯丙胺通过Langmuir-Blodgett技术展开并在环糊精衍生物的水溶液上反应。环糊精部分首先被引入到含氟聚合物的薄膜中。表征具有环糊精部分的聚合物膜。
• The Thin Film of a Fluorine-Containing Polymer with Cyclodextrin Prepared by the Langmuir–Blodgett Technique and Its Application to Photochromic Thin Films
  作者：Masanori Tamura、Akira Sekiya

  DOI：10.1246/bcsj.66.1356

  日期：1993.5

  carboxyl group, and a thin film of the fluorine-containing polymer to which a cyclodextrin moiety was introduced was prepared by the Langmuir–Blodgett technique. Azobenzenes were incorporated in the polymer thin film as the inclusion complex by using the aqueous solution containing both the cyclodextrin derivative and azobenzenes as a subphase, and novel photochromic thin films of fluorine-containing

  将聚烯丙胺通过全氟酰化合成的聚合物铺展在具有羧基的环糊精衍生物的水溶液上，并通过Langmuir-Blodgett技术制备了引入环糊精部分的含氟聚合物薄膜。以含有环糊精衍生物和偶氮苯的水溶液为副相，将偶氮苯作为包合物掺入聚合物薄膜中，得到新型含氟聚合物光致变色薄膜。这些薄膜的表征表明，由于聚合物中的全氟烷基，它们表现出优异的低表面能。讨论了引入的环糊精部分对分子排列、表面能和薄膜厚度的影响。
• Akiie, Toshiyuki; Nagano, Yuichi; Yamamoto, Yukinori, Chemistry Letters, 1994, # 6, p. 1089 - 1092
  作者：Akiie, Toshiyuki、Nagano, Yuichi、Yamamoto, Yukinori、Nakamura, Asao、Ikeda, Hiroshi、et al.

  DOI：——

  日期：——
• Homotropic cooperativity of cyclodextrin dimer as an artificial hydrolase
  作者：Hiroshi Ikeda、Satoshi Nishikawa、Yukinori Yamamoto、Akihiko Ueno

  DOI：10.1016/j.molcata.2010.06.005

  日期：2010.8

  Three kinds of cyclodextrin (CD) dimer (one homo-dimer of beta-CD and two types of hetero-dimer of alpha-CD and beta-CD) were synthesized as artificial hydrolases. The initial rates of the cleavage reaction of p-nitrophenyl methoxyethoxyethoxyacetate (8) by each of the three dimers were measured under the condition of excess of substrate at 25 degrees C in a pH 7.4 phosphate buffer solution. In a plot of initial rate against concentration of the substrate, the reaction with the homo-dimer (beta C beta H 5) gave a sigmoidal curve, whereas the reaction with either of the hetero-dimers gave a simple hyperbolic curve. Only beta C beta H 5 showed homotropic cooperativity, with a Hill constant of 1.8. (C) 2010 Elsevier B.V. All rights reserved.