hexadecyl-thiourea | 86533-71-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: hexadecyl-thiourea
• 英文别名: Hexadecyl-thioharnstoff；Cetylthioharnstoff；Hexadecylthiourea
• CAS: 86533-71-3
• 化学式: C₁₇H₃₆N₂S
• 分子量: 300.552
• InChiKey: GGTWNAKQGPMTAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  hexadecyl-thiourea 以 乙醇 、 丙酮 为溶剂， 生成 N'-Hexadecyl-N,N-dimethyl-guanidine
  参考文献：
  名称：

  BE626015

  摘要：

  公开号：
• 作为产物：
  描述：

  十六胺 在 氨 、 水 作用下， 生成 hexadecyl-thiourea
  参考文献：
  名称：

  Schmidt; Fehr, Justus Liebigs Annalen der Chemie, 1959, vol. 621, p. 1,7

  摘要：

  DOI：

文献信息

• Substituted 2-Thioxoimidazolidin-4-ones and Imidazolidine-2,4-diones as Fatty Acid Amide Hydrolase Inhibitors Templates
  作者：Giulio G. Muccioli、Nicola Fazio、Gerhard K. E. Scriba、Wolfgang Poppitz、Fabio Cannata、Jacques H. Poupaert、Johan Wouters、Didier M. Lambert

  DOI：10.1021/jm050977k

  日期：2006.1.1

  The demonstration of the essential role of fatty acid amide hydrolase (FAAH) in hydrolyzing endogenous bioactive fatty acid derivatives has launched the quest for the discovery of inhibitors for this enzyme. Along this line, a set of 58 imidazolidine-2,4-dione and 2-thioxoirnidazolidin-4-one derivatives was evaluated as FAAH inhibitors. Among these compounds, 3-substituted 5,5'-diplietiylimidazolidine-2,4-dione and 3-substituted 5,5'-diphenyl-2-thioxoimidazolidin-4-one derivatives were previously described as CB, cannabinoid receptor ligands. In the present study, we synthesized several derivatives exhibiting interesting FAAH inhibitory activity and devoid of affinity for the CB, and CB, cannabinoid receptors. For instance, 3-heptyl-5,5'-diphenylimidazolidine-2,4-dione (14) and 5.5'-diphenyl-3-tetradecyl-2-thioxo-imidazolidin-4-one (46) showed pI(50) values of 5.12 and 5.94, respectively. In conclusion, it appears that even though several 3-substituted 5,5'-diphenyl-2-thioxoimidazolidin-4-one and 3-substituted 5.5'-diphenylimidazolidine-2,4-dione derivatives have been previously shown to behave as CB, cannabinoid receptor ligands, appropriate substitutions of these templates can result in FAAH inhibitors devoid of affinity for the cannabinoid receptors.
• Hueter, Chemische Berichte, 1947, vol. 80, p. 273,276
  作者：Hueter

  DOI：——

  日期：——
• US4620941A
  申请人：——

  公开号：US4620941A

  公开（公告）日：1986-11-04
• BE626015
  申请人：——

  公开号：——

  公开（公告）日：——
• Schmidt; Fehr, Justus Liebigs Annalen der Chemie, 1959, vol. 621, p. 1,7
  作者：Schmidt、Fehr

  DOI：——

  日期：——