N,N-Diethyl-4-[(4-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide | 705279-40-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N-Diethyl-4-[(4-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
• 英文别名: N,N-diethyl-4-[(4-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide
• CAS: 705279-40-9
• 化学式: C₂₆H₃₂N₂O₂
• 分子量: 404.552
• InChiKey: IHGJYBHYZNYXJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N-Diethyl-4-[(4-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide 在 氯甲酸-2,2,2-三氯乙酯 、 N,N-二异丙基乙胺 、 锌 作用下， 生成 4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
  参考文献：
  名称：

  N , N -Dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective δ opioid agonists

  摘要：

  A series of N, N-dialkyl -4-(9-aryltropanylidenemethyl) benzamides was prepared. The lead Compounds, 15a and 15c, exhibited extremely high affinity for the 6 opioid receptor with excellent selectivity versus the p opioid receptor. They were full agonists at the 6 opioid receptor, as assessed by stimulation of GTPgammaS binding, and displayed antinociceptive activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.051
• 作为产物：
  描述：

  托品酮 在 三溴化硼 、 四氯化钛 、 锌 作用下， 生成 N,N-Diethyl-4-[(4-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
  参考文献：
  名称：

  N , N -Dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective δ opioid agonists

  摘要：

  A series of N, N-dialkyl -4-(9-aryltropanylidenemethyl) benzamides was prepared. The lead Compounds, 15a and 15c, exhibited extremely high affinity for the 6 opioid receptor with excellent selectivity versus the p opioid receptor. They were full agonists at the 6 opioid receptor, as assessed by stimulation of GTPgammaS binding, and displayed antinociceptive activity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.051