| 1340566-94-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 阿朴菲
• CAS: 1340566-94-0
• 化学式: C₂₈H₃₅NO₆
• 分子量: 481.589
• InChiKey: ZPURHQDDFXKNJK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.05
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  66.46
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 zinc dibromide 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  New aporphinoid 5-HT2A and α1A antagonists via structural manipulations of nantenine

  摘要：

  A series of Cl, C2, C3 and N6 analogs of nantenine (2) was synthesized and evaluated in 5-HT2A and alpha(1A) receptor functional assays. Alkyl substitution of the Cl and N6 methyl groups of nantenine provided selective 5-HT2A and alpha 1A antagonists, respectively. The C2 alkyloxy analogs studied were generally selective for alpha(1A) versus 5-HT2A. The C3 bromo analog 15 is one of the most potent aporphinoid 5-HT2A antagonists known presently. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.019
• 作为产物：
  描述：

  6-(benzyloxy)-1-((6-bromobenzo[d][1,3]dioxol-5-yl)methyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 、 palladium diacetate 、 potassium carbonate 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三苯基膦 、 potassium iodide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 31.25h， 生成
  参考文献：
  名称：

  New aporphinoid 5-HT2A and α1A antagonists via structural manipulations of nantenine

  摘要：

  A series of Cl, C2, C3 and N6 analogs of nantenine (2) was synthesized and evaluated in 5-HT2A and alpha(1A) receptor functional assays. Alkyl substitution of the Cl and N6 methyl groups of nantenine provided selective 5-HT2A and alpha 1A antagonists, respectively. The C2 alkyloxy analogs studied were generally selective for alpha(1A) versus 5-HT2A. The C3 bromo analog 15 is one of the most potent aporphinoid 5-HT2A antagonists known presently. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.019