(-)-4-{4-[1,1-dimethylheptyl]-2-fumarate-6-hydroxy-phenyl}-6,6-dimethyl-bicyclo[3.1.1]heptan-2-one | 573981-31-4

• 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: (-)-4-{4-[1,1-dimethylheptyl]-2-fumarate-6-hydroxy-phenyl}-6,6-dimethyl-bicyclo[3.1.1]heptan-2-one
• 英文别名: Cannabinor；(E)-4-[2-[(1S,2S,5S)-6,6-dimethyl-4-oxo-2-bicyclo[3.1.1]heptanyl]-3-hydroxy-5-(2-methyloctan-2-yl)phenoxy]-4-oxobut-2-enoic acid
• CAS: 573981-31-4
• 化学式: C₂₈H₃₈O₆
• 分子量: 470.606
• InChiKey: GSTZHANFXAKPSE-MXTREEOPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (-)-4-[4-(1,1-dimethylheptyl)-2,6-dihydroxy-phenyl]-6,6-dimethyl-bicyclo[3.1.1]heptan-2-one 、 反丁烯二酰氯 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 0.25h， 生成 (-)-4-{4-[1,1-dimethylheptyl]-2-fumarate-6-hydroxy-phenyl}-6,6-dimethyl-bicyclo[3.1.1]heptan-2-one
  参考文献：
  名称：

  WO2006/43260

  摘要：

  公开号：

文献信息

• ORALLY EFFECTIVE CANNABINOID ANALOGS
  申请人：Yacovan Avihai

  公开号：US20090068143A1

  公开（公告）日：2009-03-12

  The present invention relates to orally effective ligands of the peripheral cannabinoid receptor CB 2 , especially (+)-α-pinene derivatives, and to pharmaceutical compositions thereof, which are useful for prevention, alleviation or treatment of autoimmune neurodegenerative disorders, in particular multiple sclerosis and associated symptoms. Methods of the invention are useful when the active ingredient is administered alone or in combination with existing therapeutic modalities. The compositions are administered by oral route.
• Treatment Of Lower Urinary Tract Dysfunction With CB2-Receptor-Selective Agonists
  申请人：Rosenbaum Jan Susan

  公开号：US20090312414A1

  公开（公告）日：2009-12-17

  A method is disclosed utilizing a cannabinoid receptor type 2-receptor-selective agonist for treating or preventing lower urinary tract dysfunction, including overactive bladder, lower urinary tract symptoms and detrusor overactivity.