N,N-Diethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide | 705279-43-2

• 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-[(3-methoxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
• 英文别名: N,N-diethyl-4-[(3-methoxyphenyl)-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
• CAS: 705279-43-2
• 化学式: C₃₄H₄₀N₂O₂
• 分子量: 508.704
• InChiKey: BPBXLBMJYVSLOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-one 在 sodium hydroxide 、 氯化亚砜 、 四氯化钛 、 锌 作用下， 生成 N,N-Diethyl-4-[(3-methoxy-phenyl)-(8-phenethyl-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

文献信息

• N , N -Dialkyl-4-[(8-azabicyclo[3.2.1]-oct-3-ylidene)phenylmethyl]benzamides, potent, selective δ opioid agonists
  作者：John R Carson、Steven J Coats、Ellen E Codd、Scott L Dax、Jung Lee、Rebecca P Martinez、Lou Anne Neilson、Philip M Pitis、Sui-Po Zhang

  DOI：10.1016/j.bmcl.2004.02.051

  日期：2004.5

  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.