2-[9-(4-allyloxyphenyl)-1,4,7-trioxanonan-1-yl]-tetrahydro-2H-pyran | 1061303-11-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[9-(4-allyloxyphenyl)-1,4,7-trioxanonan-1-yl]-tetrahydro-2H-pyran
• CAS: 1061303-11-4
• 化学式: C₂₀H₃₀O₅
• 分子量: 350.455
• InChiKey: VPQKJUOFMKWAKV-UHFFFAOYSA-N

物化性质

• 沸点：
  465.2±45.0 °C(predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.37
• 重原子数：
  25.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  46.15
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-[9-(4-allyloxyphenyl)-1,4,7-trioxanonan-1-yl]-tetrahydro-2H-pyran 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以93%的产率得到8-(4-allyloxyphenyl)-3,6-dioxaoctanol
  参考文献：
  名称：

  Design, synthesis and evaluation of d-galactose-β-cyclodextrin conjugates as drug-carrying molecules

  摘要：

  Several kinds of D-galactose-beta-cyclodextrin conjugates having a phenyl group in the spacers between the D-galactose and beta-cyclodextrin were designed and synthesized as drug-carrying molecules. Their evaluation as drug-carrying molecules was done by measuring the molecular interactions with the anticancer agent, doxorubicin, and with the D-galactose-binding peanut lectin using an SPR optical biosensor. The SPR analyses showed that these conjugates had remarkably high inclusion associations of 10(5) similar to 10(7) M-1 levels for the immobilized doxorubicin. Their association constants for immobilized peanut lectin were at the level of 10(4) similar to 10(5) M-1, as we expected. These conjugates will be useful drug-carrying models which can site-specifically carry doxorubicin to the cells containing D-galactose-binding lectin. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.08.076
• 作为产物：
  描述：

  2-(2-(2-chloroethoxy)ethoxy)tetrahydro-2H-pyran 、 2-(4-allyloxyphenyl)ethanol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 以41%的产率得到2-[9-(4-allyloxyphenyl)-1,4,7-trioxanonan-1-yl]-tetrahydro-2H-pyran
  参考文献：
  名称：

  Design, synthesis and evaluation of d-galactose-β-cyclodextrin conjugates as drug-carrying molecules

  摘要：

  Several kinds of D-galactose-beta-cyclodextrin conjugates having a phenyl group in the spacers between the D-galactose and beta-cyclodextrin were designed and synthesized as drug-carrying molecules. Their evaluation as drug-carrying molecules was done by measuring the molecular interactions with the anticancer agent, doxorubicin, and with the D-galactose-binding peanut lectin using an SPR optical biosensor. The SPR analyses showed that these conjugates had remarkably high inclusion associations of 10(5) similar to 10(7) M-1 levels for the immobilized doxorubicin. Their association constants for immobilized peanut lectin were at the level of 10(4) similar to 10(5) M-1, as we expected. These conjugates will be useful drug-carrying models which can site-specifically carry doxorubicin to the cells containing D-galactose-binding lectin. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.08.076