(3aS,4R,4aR,7aR,8S,8aS)-2,2,6,6-Tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxole-4,8-diol | 208714-31-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aS,4R,4aR,7aR,8S,8aS)-2,2,6,6-Tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxole-4,8-diol
• CAS: 208714-31-2
• 化学式: C₁₂H₂₀O₆
• 分子量: 260.287
• InChiKey: LDPFQVWIUACVFE-PMDMRDKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  77.38
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3aS,4R,4aR,7aR,8S,8aS)-2,2,6,6-Tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxole-4,8-diol 在 sodium hydroxide 、 三甲基溴硅烷 、 水 、 双氧水 作用下， 反应 7.33h， 生成
  参考文献：
  名称：

  Syntheses of All Regioisomers ofMyo-Inositol Bisphosphate

  摘要：

  All possible nine regioisomers of myo-inositol bisphosphate were synthesized using various isopropylidene and benzoyl inositol derivatives as intermediates. These intermediates were successfully phosphorylated with diethyl chlorophosphite followed by oxidation. Selective diphosphorylations on several IBz(3) intermediates were also examined as possible routes to IP(2)s. All of the protecting groups were easily removed in a one-pot procedure to give the sodium salts of the title compounds, IP2 regioisomers.

  DOI：

  10.1080/07328309808002898
• 作为产物：
  描述：

  2-O-benzoyl-myo-inositol 在 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 (3aS,4R,4aR,7aR,8S,8aS)-2,2,6,6-Tetramethyl-hexahydro-benzo[1,2-d;4,5-d']bis[1,3]dioxole-4,8-diol
  参考文献：
  名称：

  Syntheses of All Regioisomers ofMyo-Inositol Bisphosphate

  摘要：

  All possible nine regioisomers of myo-inositol bisphosphate were synthesized using various isopropylidene and benzoyl inositol derivatives as intermediates. These intermediates were successfully phosphorylated with diethyl chlorophosphite followed by oxidation. Selective diphosphorylations on several IBz(3) intermediates were also examined as possible routes to IP(2)s. All of the protecting groups were easily removed in a one-pot procedure to give the sodium salts of the title compounds, IP2 regioisomers.

  DOI：

  10.1080/07328309808002898

文献信息

• Molecular Transporters Based On Alditol Or Inositol And Processes For The Preparation Thereof
  申请人：CHUNG Sung-Kee

  公开号：US20080039421A1

  公开（公告）日：2008-02-14

  The inventive molecular transporter compound shows significantly high permeability through a biological membrane such as plasma membrane, nuclear membrane and blood-brain barrier, and accordingly, it can be effectively used in delivering various biologically active molecules, such as doxorubicin and paclitaxel to target cells.

  这种创新的分子转运化合物显示出在生物膜（如细胞膜、细胞核膜和血脑屏障）中具有显著的高透过性，因此可以有效地用于将各种生物活性分子（如阿霉素和紫杉醇）传递到目标细胞中。
• Molecular Transporters Based on Sugar and Its Analogues and Processes For the Preparation Thereof
  申请人：Chung Sung-Kee

  公开号：US20080249296A1

  公开（公告）日：2008-10-09

  The inventive molecular transporter compound shows significantly high permeability through a biological membrane such as a plasma membrane, nuclear membrane and blood-brain barrier, and accordingly, can be effectively used in delivering various biologically active molecules.

  这种创新的分子转运化合物在生物膜（如细胞膜、核膜和血脑屏障）中表现出显著的高渗透性，因此可以有效地用于传递各种生物活性分子。
• Inositol-based molecular transporters and processes for the preparation thereof
  申请人：Chung Sung-Kee

  公开号：US20060280796A1

  公开（公告）日：2006-12-14

  Inositol derivatives in accordance with the present invention are effective in significantly enhancing the transportation of various therapeutic molecules across a biological membrane, which may include the plasma membrane, nuclear membrane or blood-brain barrier.

  根据本发明，肌醇衍生物能够显著增强各种治疗分子通过生物膜的传输，这些生物膜可能包括质膜、核膜或血脑屏障。
• MOLECULAR TRANSPORTERS BASED ON SUGAR AND ITS ANALOGUES AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：Chung Sung-Kee

  公开号：US20100330608A1

  公开（公告）日：2010-12-30

  The inventive molecular transporter compound shows significantly high permeability through a biological membrane such as a plasma membrane, nuclear membrane and blood-brain barrier, and accordingly, can be effectively used in delivering various biologically active molecules.

  这种创新的分子转运化合物在生物膜中，如细胞膜、核膜和血脑屏障中，显示出显著的高渗透性，因此可以有效地用于传递各种生物活性分子。
• US7589072B2
  申请人：——

  公开号：US7589072B2

  公开（公告）日：2009-09-15