tetradecyl-thiourea | 86533-70-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: tetradecyl-thiourea
• 英文别名: Tetradecyl-thioharnstoff；Myristyl-thioharnstoff；Tetradecylthiourea
• CAS: 86533-70-2
• 化学式: C₁₅H₃₂N₂S
• 分子量: 272.498
• InChiKey: PKPWYJBMZKUDRR-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 沸点：
  374.3±25.0 °C(Predicted)
• 密度：
  0.928±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  18
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 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：

  tetradecyl-thiourea 在 ammonium hydroxide 作用下， 以 乙醇 为溶剂， 生成 N-Myristyl-mercaptoethyl-guanidin
  参考文献：
  名称：

  抗辐射化合物VII

  摘要：

  假设2-甲基巯基乙基胍（MEG）的单-N-烷基和N，N'-二烷基衍生物已被合成为潜在的辐射防护剂，并假设增加了MEG的脂溶性将改善其辐射防护能力。通过使溴乙胺与适当的烷基化的硫脲反应，得到相应的氨基乙基异硫脲溴化氢溴酸盐，将其在碱性溶液中重排为所需的MEG衍生物，从而获得化合物。与MEGBr本身不同，烷基MEG氢溴酸盐可从水溶液中分离出来。转化为三硫代碳酸酯通常得到具有更好的结晶性质的产物。NMR分析证实了MEG的三硫代碳酸酯的结构。

  DOI：

  10.1002/jps.2600540413
• 作为产物：
  描述：

  十四胺 在 氨 、 水 作用下， 生成 tetradecyl-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.
• N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0297610B1

  公开（公告）日：1991-03-13
• Antiradiation Compounds VII
  作者：William O. Foye、Edward F. Lasala、Minas Georgiadis、Walter L. Meyer

  DOI：10.1002/jps.2600540413

  日期：1965.4

  of 2-mercaptoethylguanidine (MEG) have been synthesized as potential radioprotective agents with the assumption that increase in liposolubility of MEG will improve its radioprotective ability. The compounds were obtained by reaction of bromoethylamine with the appropriate alkylated thiourea to give the corresponding aminoethylisothiouronium bromide hydrobromide, which was rearranged to the desired MEG

  假设2-甲基巯基乙基胍（MEG）的单-N-烷基和N，N'-二烷基衍生物已被合成为潜在的辐射防护剂，并假设增加了MEG的脂溶性将改善其辐射防护能力。通过使溴乙胺与适当的烷基化的硫脲反应，得到相应的氨基乙基异硫脲溴化氢溴酸盐，将其在碱性溶液中重排为所需的MEG衍生物，从而获得化合物。与MEGBr本身不同，烷基MEG氢溴酸盐可从水溶液中分离出来。转化为三硫代碳酸酯通常得到具有更好的结晶性质的产物。NMR分析证实了MEG的三硫代碳酸酯的结构。
• Schmidt; Fehr, Justus Liebigs Annalen der Chemie, 1959, vol. 621, p. 1,7
  作者：Schmidt、Fehr

  DOI：——

  日期：——