(7-morpholin-4-yl-heptyl)carbamic acid 3-{(methyl[3-(2-oxo-2H-chromen-7-yloxy)propyl]amino)methyl}phenyl ester | 1355167-70-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (7-morpholin-4-yl-heptyl)carbamic acid 3-{(methyl[3-(2-oxo-2H-chromen-7-yloxy)propyl]amino)methyl}phenyl ester
• 英文别名: [3-[[methyl-[3-(2-oxochromen-7-yl)oxypropyl]amino]methyl]phenyl] N-(7-morpholin-4-ylheptyl)carbamate
• CAS: 1355167-70-2
• 化学式: C₃₂H₄₃N₃O₆
• 分子量: 565.71
• InChiKey: SBQAIYUBGADZLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  41
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  89.6
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-(3-((3-hydroxybenzyl)(methyl)amino)propoxy)-2H-chromen-2-one 、 4-(7-isocyanatoheptyl)morpholine 在 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以27%的产率得到(7-morpholin-4-yl-heptyl)carbamic acid 3-{(methyl[3-(2-oxo-2H-chromen-7-yloxy)propyl]amino)methyl}phenyl ester
  参考文献：
  名称：

  The First Dual ChE/FAAH Inhibitors: New Perspectives for Alzheimer's Disease?

  摘要：

  The treatment of Alzheimer's disease (AD) still remains an area of significant unmet need, with drugs that only target the symptoms of the disease. Therefore, there is considerable need for disease-modifying therapies. The complex etiology of AD prompts scientists to develop multitarget strategies to combat causes and symptoms. To this aim, we designed, synthesized, and tested four new carbamates as dual cholinesterase-FAAH inhibitors. The dual activity of these compounds could lead to a potentially more effective treatment for the counteraction of AD progression, because they would allow regulation of both ACh and eCB signaling and improve neuronal transmission and/or counteract neuroinflammation.

  DOI：

  10.1021/ml200313p