2-[3-(3-phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline hydrogen oxalate | 1078127-50-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-[3-(3-phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline hydrogen oxalate
• CAS: 1078127-50-0
• 化学式: C₂H₂O₄*C₂₁H₂₇NO
• 分子量: 399.487
• InChiKey: LQCPHQMWKWAYFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.24
• 重原子数：
  29.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  87.07
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-(3,4-二氢异喹啉-2(1H)-基)-1-丙醇 、 1-溴-3-苯基丙烷 、 草酸 在 氢氧化钾 、 四丁基溴化铵 、 potassium carbonate 作用下， 以 乙醚 、 乙醇 为溶剂， 反应 0.01h， 以10%的产率得到2-[3-(3-phenylpropoxy)propyl]-1,2,3,4-tetrahydro-isoquinoline hydrogen oxalate
  参考文献：
  名称：

  Piperidine variations in search for non-imidazole histamine H3 receptor ligands

  摘要：

  Synthesis and biological evaluation of the novel histamine H-3 receptor ligands is described. Two series of ethers (aliphatic and aromatic) have been prepared by four different methods. Compounds were evaluated for their affinities at recombinant human H-3 receptor stably expressed in CHO cells. The ethers show from low to moderate in vitro affiities in nanomolar concentration range. The most potent compound was the 1-[3-(4-tert-butylphenoxy)propyl]-4-piperidino-piperidine 16 (hH(3)R K-i = 100 nM). Several members of the new series investigated under in vivo conditions, proved to be inactive. (C) 2008 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2008.07.071