αH | 1252661-80-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: αH
• 英文别名: 6-deoxy-6-(L-histidylamino)-α-cyclodextrin
• CAS: 1252661-80-5
• 化学式: C₄₂H₆₈N₄O₃₀
• 分子量: 1109.01
• InChiKey: HDQBFEXQYWVJMV-BJZMJEJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.64
• 重原子数：
  76.0
• 可旋转键数：
  10.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  538.47
• 氢给体数：
  20.0
• 氢受体数：
  32.0

反应信息

• 作为反应物：
  描述：

  αH 、 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71%的产率得到6-{N-[6-(6-deoxy-β-cyclodextrinylthio)acetyl]-L-histidylamino}-6-deoxy-α-cyclodextrin
  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：

  6-(Nα-tert-butyloxycarbonyl-L-histidylamino)-6-deoxy-α-cyclodextrin 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以1.3 g的产率得到αH
  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