adamantane-2-spiro-3'-9'-(4'-carboxyphenyl)-1',2',4',5'-tetraoxaspiro[5.5]undecane | 1335151-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: adamantane-2-spiro-3'-9'-(4'-carboxyphenyl)-1',2',4',5'-tetraoxaspiro[5.5]undecane
• CAS: 1335151-22-8
• 化学式: C₂₃H₂₈O₆
• 分子量: 400.472
• InChiKey: UEJJZZBURNQCCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-(4'-carbomethoxyphenyl)cyclohexanone 在 水 、 双氧水 、 碘 、 rhenium(VII) oxide 、 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 反应 56.0h， 生成 adamantane-2-spiro-3'-9'-(4'-carboxyphenyl)-1',2',4',5'-tetraoxaspiro[5.5]undecane
  参考文献：
  名称：

  The activity of dispiro peroxides against Fasciola hepatica

  摘要：

  Dispiro 1,2,4-trioxanes and 1,2,4,5-tetraoxanes had superior efficacy against Fasciola hepatica than the corresponding ozonides (1,2,4-trioxolanes). For highest efficacy, spiroadamantane and carboxymethyl substructures were required. Three compounds completely cured F. hepatica-infected mice at single oral doses of 50 mg/kg and two were partially curative at single doses of 25 mg/kg. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.024

文献信息

• The activity of dispiro peroxides against Fasciola hepatica
  作者：Xiaofang Wang、Qingjie Zhao、Mireille Vargas、Yuxiang Dong、Kamaraj Sriraghavan、Jennifer Keiser、Jonathan L. Vennerstrom

  DOI：10.1016/j.bmcl.2011.07.024

  日期：2011.9

  Dispiro 1,2,4-trioxanes and 1,2,4,5-tetraoxanes had superior efficacy against Fasciola hepatica than the corresponding ozonides (1,2,4-trioxolanes). For highest efficacy, spiroadamantane and carboxymethyl substructures were required. Three compounds completely cured F. hepatica-infected mice at single oral doses of 50 mg/kg and two were partially curative at single doses of 25 mg/kg. (C) 2011 Elsevier Ltd. All rights reserved.