2-{[2-(cyclopropyloxy)phenoxy]methyl}-4,5-dihydro-1H-imidazole | 1448331-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-{[2-(cyclopropyloxy)phenoxy]methyl}-4,5-dihydro-1H-imidazole
• 英文别名: 2-[(2-cyclopropyloxyphenoxy)methyl]-4,5-dihydro-1H-imidazole
• CAS: 1448331-76-7
• 化学式: C₁₃H₁₆N₂O₂
• 分子量: 232.282
• InChiKey: JFZSEYPHJYDMAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  methyl 2-(2-cyclopropoxyphenoxy)-acetate 、 乙二胺 在 三甲基铝 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 13.0h， 以61%的产率得到2-{[2-(cyclopropyloxy)phenoxy]methyl}-4,5-dihydro-1H-imidazole
  参考文献：
  名称：

  Exploring Multitarget Interactions to Reduce Opiate Withdrawal Syndrome and Psychiatric Comorbidity

  摘要：

  Opioid addiction is often characterized as a chronic relapsing condition due to the severe somatic and behavioral signs, associated with depressive disorders, triggered by opiate withdrawal. Since prolonged abstinence remains a major challenge, our interest has been addressed to such objective. Exploring multitarget interactions, the present investigation suggests that 3 or its (S)-enantiomer and 4, endowed with effective alpha(2C)-AR agonism/alpha(2A)-AR antagonism/5-HT1A-R agonism, or 7 and 9-11 producing efficacious alpha(2C)-AR agonism/alpha(2A)-AR antagonism/I-2-IBS interaction might represent novel multifunctional tools potentially useful for reducing withdrawal syndrome and associated depression. Such agents, lacking in sedative side effects due to their alpha(2A)-AR antagonism, might afford an improvement over current therapies with clonidine-like drugs.

  DOI：

  10.1021/ml400232p

文献信息

• Exploring Multitarget Interactions to Reduce Opiate Withdrawal Syndrome and Psychiatric Comorbidity
  作者：Fabio Del Bello、Eleonora Diamanti、Mario Giannella、Valerio Mammoli、Laura Mattioli、Federica Titomanlio、Alessandro Piergentili、Wilma Quaglia、Marco Lanza、Chiara Sabatini、Gianfranco Caselli、Elena Poggesi、Maria Pigini

  DOI：10.1021/ml400232p

  日期：2013.9.12

  Opioid addiction is often characterized as a chronic relapsing condition due to the severe somatic and behavioral signs, associated with depressive disorders, triggered by opiate withdrawal. Since prolonged abstinence remains a major challenge, our interest has been addressed to such objective. Exploring multitarget interactions, the present investigation suggests that 3 or its (S)-enantiomer and 4, endowed with effective alpha(2C)-AR agonism/alpha(2A)-AR antagonism/5-HT1A-R agonism, or 7 and 9-11 producing efficacious alpha(2C)-AR agonism/alpha(2A)-AR antagonism/I-2-IBS interaction might represent novel multifunctional tools potentially useful for reducing withdrawal syndrome and associated depression. Such agents, lacking in sedative side effects due to their alpha(2A)-AR antagonism, might afford an improvement over current therapies with clonidine-like drugs.