2-((E)-(((1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)imino)methyl)phenol | 1265628-23-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-((E)-(((1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)imino)methyl)phenol
• CAS: 1265628-23-6
• 化学式: C₁₇H₂₃NO
• 分子量: 257.376
• InChiKey: WETHEMWIRCIEQW-SHXSVSKPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  (1R,2R,3R,5S)-(-)-Isopinocampheylamine 、 水杨醛 在 哌啶 作用下， 以 苯 为溶剂， 以90%的产率得到2-((E)-(((1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)imino)methyl)phenol
  参考文献：
  名称：

  Discovery of highly potent agents against influenza A virus

  摘要：

  We previously reported several new M2 inhibitors as active as amantadine against influenza A virus and validated by three types of in vitro assays. Herein, we further modified one of the most potent hits in a viral inhibition assay and conducted structure activity relationship studies on this scaffold. As a result, compound 8e was identified to be the most potent inhibitor against wild-type influenza A virus, being nearly 240-fold more active than amantadine. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.10.010

文献信息

• Discovery of highly potent agents against influenza A virus
  作者：Xin Zhao、Chufang Li、Shaogao Zeng、Wenhui Hu

  DOI：10.1016/j.ejmech.2010.10.010

  日期：2011.1

  We previously reported several new M2 inhibitors as active as amantadine against influenza A virus and validated by three types of in vitro assays. Herein, we further modified one of the most potent hits in a viral inhibition assay and conducted structure activity relationship studies on this scaffold. As a result, compound 8e was identified to be the most potent inhibitor against wild-type influenza A virus, being nearly 240-fold more active than amantadine. (C) 2010 Elsevier Masson SAS. All rights reserved.