3-((tert-butoxycarbonyl)amino)propyl decanoate | 1380680-65-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-((tert-butoxycarbonyl)amino)propyl decanoate
• CAS: 1380680-65-8
• 化学式: C₁₈H₃₅NO₄
• 分子量: 329.48
• InChiKey: HLWUTTSDKFVOOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  23.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-((tert-butoxycarbonyl)amino)propyl decanoate 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 以100%的产率得到3-aminopropyl decanoate
  参考文献：
  名称：

  Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase

  摘要：

  N-Acylethanolamines (NAEs) including N-arachidonoylethanolamine (anandamide) and N-palmitoylethanolamine are endogenous lipid mediators. These molecules are degraded to the corresponding fatty acids and ethanolamine by fatty acid amide hydrolase (FAAH) or NAE-hydrolyzing acid amidase (NAAA). Lipophilic amines, especially pentadecylamine (2c) and tridecyl 2-aminoacetate (11b), were found to exhibit potent NAAA inhibitory activities (IC50 = 5.7 and 11.8 mu M), with much weaker effects on FAAH. These simple structures would provide a scaffold for further improvement in NAAA inhibitory activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.065
• 作为产物：
  描述：

  N-(3-羟丙基)氨基甲酸叔丁酯 、 癸酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以97%的产率得到3-((tert-butoxycarbonyl)amino)propyl decanoate
  参考文献：
  名称：

  Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase

  摘要：

  N-Acylethanolamines (NAEs) including N-arachidonoylethanolamine (anandamide) and N-palmitoylethanolamine are endogenous lipid mediators. These molecules are degraded to the corresponding fatty acids and ethanolamine by fatty acid amide hydrolase (FAAH) or NAE-hydrolyzing acid amidase (NAAA). Lipophilic amines, especially pentadecylamine (2c) and tridecyl 2-aminoacetate (11b), were found to exhibit potent NAAA inhibitory activities (IC50 = 5.7 and 11.8 mu M), with much weaker effects on FAAH. These simple structures would provide a scaffold for further improvement in NAAA inhibitory activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.03.065