6-isopropoxy-1-(4-isopropoxy-3-methoxybenzyl)-7-methoxy-3,4-dihydroisoquinoline hydrochloride | 1213240-93-7

• 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-isopropoxy-1-(4-isopropoxy-3-methoxybenzyl)-7-methoxy-3,4-dihydroisoquinoline hydrochloride
• 英文别名: 7-Methoxy-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-6-propan-2-yloxy-3,4-dihydroisoquinoline;hydrochloride
• CAS: 1213240-93-7
• 化学式: C₂₄H₃₁NO₄*ClH
• 分子量: 433.975
• InChiKey: JBHIVOYGSXODCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  49.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  、 6-isopropoxy-1-(4-isopropoxy-3-methoxybenzyl)-7-methoxy-3,4-dihydroisoquinoline hydrochloride 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以71%的产率得到5-isopropoxy-2-(8-isopropoxy-1-(4-isopropoxy-3-methoxyphenyl)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-4-methoxyphenyl methanesulfonate
  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：

  2-(4-isopropoxy-3-methoxyphenyl)-N-(3-isopropoxy-4-methoxyphenethyl) acetamide 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 以97%的产率得到6-isopropoxy-1-(4-isopropoxy-3-methoxybenzyl)-7-methoxy-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