(5S)-3-[(3,4-dihydroxyphenyl)methyl]-5-(3,4-dimethoxyphenyl)oxan-2-one

• 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: (5S)-3-[(3,4-dihydroxyphenyl)methyl]-5-(3,4-dimethoxyphenyl)oxan-2-one
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.4
• InChiKey: PUZRQGGRMXQVGX-YSSOQSIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.2
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Benzylated PDE4 inhibitors
  申请人：Biolipox AB

  公开号：EP2258689A1

  公开（公告）日：2010-12-08

  The present invention is directed to a method for reducing the emetogenic effects of PDE inhibitors, and more particularly is directed to compounds having PDE4 inhibition activity with little or no emetogenic side-effects, and chemical methods including benzylation for preparing such compounds. A benzyl group may be attached to either a carbon or nitrogen atom of a PDE4 inhibitor. Suitable benzylation chemistry is to extract a hydrogen from a PDE4 inhibitor, preferably with a base, and then react the resulting nucleophilic PDE4 inhibitor with a benzylating agent, e.g., benzyl bromide or a derivative thereof.

  本发明涉及一种减少PDE抑制剂致呕吐作用的方法，更具体地说，本发明涉及具有PDE4抑制活性而很少或没有致呕吐副作用的化合物，以及制备这种化合物的包括苄基化的化学方法。苄基可以连接到 PDE4 抑制剂的碳原子或氮原子上。合适的苄化化学方法是从 PDE4 抑制剂中提取一个氢，最好是用碱，然后将得到的亲核 PDE4 抑制剂与苄化剂（如溴化苄或其衍生物）反应。
• BENZYLATED PDE4 INHIBITORS
  申请人：Lauener W. Ronald

  公开号：US20070208181A1

  公开（公告）日：2007-09-06

  The present invention is directed to a method for reducing the emetogenic effects of PDE inhibitors, and more particularly is directed to compounds having PDE4 inhibition activity with little or no emetogenic side-effects, and chemical methods including benzylation for preparing such compounds. A benzyl group may be attached to either a carbon or nitrogen atom of a PDE4 inhibitor. Suitable benzylation chemistry is to extract a hydrogen from a PDE4 inhibitor, preferably with a base, and then react the resulting nucleophilic PDE4 inhibitor with a benzylating agent, e.g., benzyl bromide or a derivative thereof.
• US7446129B2
  申请人：——

  公开号：US7446129B2

  公开（公告）日：2008-11-04
• US7459479B2
  申请人：——

  公开号：US7459479B2

  公开（公告）日：2008-12-02