6,7-dimethoxy-1-(3,4,5-trimethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride | 108704-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 6,7-dimethoxy-1-(3,4,5-trimethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride
• CAS: 108704-76-3
• 化学式: C₂₁H₂₅NO₅*ClH
• 分子量: 407.894
• InChiKey: HQUFDFPHEXXRJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.74
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  58.51
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  6,7-dimethoxy-1-(3,4,5-trimethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride 、 2-溴-3',4'-二羟基苯乙酮 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以50%的产率得到4-(8,9-dimethoxy-1-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)benzene-1,2-diol
  参考文献：
  名称：

  Novel hybrids from lamellarin D and combretastatin A 4 as cytotoxic agents

  摘要：

  A new series of hybrids of lamellarin D and combretastatin A 4,1,2-diphenyl-5,6-dihydropyrrolo [2,1-a] isoquinolines, were designed as cytotoxic agents based on principles of combination in medicinal chemistry and taking the parent compounds' different anti-proliferative mechanisms into consideration. Twenty-two novel hybrids were synthesized through a convenient route, with a key step of core pyrrole formation and evaluated for their anti-proliferative activities in vitro against K-562, A-549, SMMC-7721, SGC-7901 and HCF-116 cancer cell lines. The results showed that some hybrids had good anti-proliferative activities in low IC50 ranges. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.09.017
• 作为产物：
  描述：

  N-[2-(3,4-二甲氧基苯基)乙基]-2-(3,4,5-三甲氧基苯基)乙酰胺 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 以93%的产率得到6,7-dimethoxy-1-(3,4,5-trimethoxybenzyl)-3,4-dihydroisoquinoline hydrochloride
  参考文献：
  名称：

  Novel hybrids from lamellarin D and combretastatin A 4 as cytotoxic agents

  摘要：

  A new series of hybrids of lamellarin D and combretastatin A 4,1,2-diphenyl-5,6-dihydropyrrolo [2,1-a] isoquinolines, were designed as cytotoxic agents based on principles of combination in medicinal chemistry and taking the parent compounds' different anti-proliferative mechanisms into consideration. Twenty-two novel hybrids were synthesized through a convenient route, with a key step of core pyrrole formation and evaluated for their anti-proliferative activities in vitro against K-562, A-549, SMMC-7721, SGC-7901 and HCF-116 cancer cell lines. The results showed that some hybrids had good anti-proliferative activities in low IC50 ranges. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.09.017