3-(2-Chlorophenyl)-4-methyl-5-(4-pentyl-1-bicyclo[2.2.2]octanyl)-1,2,4-triazole | 719272-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2-Chlorophenyl)-4-methyl-5-(4-pentyl-1-bicyclo[2.2.2]octanyl)-1,2,4-triazole
• CAS: 719272-87-4
• 化学式: C₂₂H₃₀ClN₃
• 分子量: 371.953
• InChiKey: JNORMYZBMDTKLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Methods and compositions for characterization of HSD1 inhibitors
  申请人：Lum Pek Yee

  公开号：US20100292085A1

  公开（公告）日：2010-11-18

  One aspect of the present invention relates to methods of identifying cortisone response signature gene sets and methods of using the identified gene sets to identify compounds that modulate HSD1 activity. In some embodiments, methods are provided to use cortisone response gene sets to estimate the HSD1 activity. Another aspect of the present inventive relates to methods for identification of off-target signature gene sets that can be used to estimate HSD1 compound induced off-target activity and methods for classification of compounds that modulate HSD1 activity. Another aspect of the present invention relates to cell lines that over-expresses HSD1 and methods of use thereof. Additional embodiments of the of the invention are described in the specification provided herein. The contents of this ABSTRACT are not intended to in anyway limit the scope of the invention claimed herein.