7-[Dibutoxy(oxido)phosphaniumyl]oxy-3-(4-hydroxyphenyl)chromen-4-one | 1022082-14-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 7-[Dibutoxy(oxido)phosphaniumyl]oxy-3-(4-hydroxyphenyl)chromen-4-one
• 英文别名: 7-[dibutoxy(oxido)phosphaniumyl]oxy-3-(4-hydroxyphenyl)chromen-4-one
• CAS: 1022082-14-9
• 化学式: C₂₃H₂₇O₇P
• 分子量: 446.437
• InChiKey: VKKOYRMRNFRZSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  97.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  亚磷酸二丁酯 、 大豆甙元 在 三乙胺 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 以73%的产率得到7-[Dibutoxy(oxido)phosphaniumyl]oxy-3-(4-hydroxyphenyl)chromen-4-one
  参考文献：
  名称：

  Inclusion complexes of phosphorylated daidzein derivatives with β-cyclodextrin: Preparation and inclusion behavior study

  摘要：

  In the present work the feasibility of beta-cyclodextrin in complexation was explored, as a tool for improving the solubility and biological ability of daidzein derivatives. A series of phosphorylated daidzein derivatives featuring different chain lengths were synthesized through a modified Atherton-Todd reaction and their inclusion complexes with beta CD were prepared by coprecipitation method. The inclusion complexation behavior was studied by fluorescence, UV, FT-IR, MS and (1)H NMR. The results showed that only phosphorylated daidzein derivative carrying small substituent group ((C(2)H(5)O)(2)P=O) entered the cavity of beta CD and formed 1:1 inclusion complex. The formation constant was 175 (mol/L)(-1). Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.10.014

文献信息

• ESI Investigation of Non-Covalent Complexes between Phosphorylated Daidzein Derivatives and Insulin
  作者：Xiaolan Chen、Xiaona Shi、Lingbo Qu、Jinwei Yuan、Yufen Zhao

  DOI：10.1080/10426500701761763

  日期：2008.1.14

  Since the end of the last century, ESI-MS has begun to be used to reveal the existence of non-covalent complexes, providing important stoichiometric information. Many researchers have reported the use of ESI-MS to determine dissociation constants of such complexes. Gas phase dissociation constants measured in this way have been found to correlate well with those measured by solution based techniques. (1.2) In this article, ESI results show that all the phosphorylated daidzein derivatives can form non-covalent complexes with the protein insulin, while non-covalent complexes were not detected in solutions of unphosphorylated daidzein and insulin. The relative affinity of each non-covalent complex was obtained according to its different decomposition orifice voltage. Compound e has the highest disappearing orifice voltage and therefore the strongest binding affinity. The relative stability of the non-covalent complexes was closely associated with the length of the hydrophobic chain.
• Inclusion complexes of phosphorylated daidzein derivatives with β-cyclodextrin: Preparation and inclusion behavior study
  作者：Yongmei Xiao、Liangru Yang、Pu Mao、Jinwei Yuan、Yuxia Deng、Lingbo Qu

  DOI：10.1016/j.saa.2011.10.014

  日期：2012.1

  In the present work the feasibility of beta-cyclodextrin in complexation was explored, as a tool for improving the solubility and biological ability of daidzein derivatives. A series of phosphorylated daidzein derivatives featuring different chain lengths were synthesized through a modified Atherton-Todd reaction and their inclusion complexes with beta CD were prepared by coprecipitation method. The inclusion complexation behavior was studied by fluorescence, UV, FT-IR, MS and (1)H NMR. The results showed that only phosphorylated daidzein derivative carrying small substituent group ((C(2)H(5)O)(2)P=O) entered the cavity of beta CD and formed 1:1 inclusion complex. The formation constant was 175 (mol/L)(-1). Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.