5-isopropoxy-2-(8-isopropoxy-1-(4-isopropoxy-3-methoxyphenyl)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-4-methoxyphenyl methanesulfonate | 1213240-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-isopropoxy-2-(8-isopropoxy-1-(4-isopropoxy-3-methoxyphenyl)-9-methoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-4-methoxyphenyl methanesulfonate
• 英文别名: [4-Methoxy-2-[9-methoxy-1-(3-methoxy-4-propan-2-yloxyphenyl)-8-propan-2-yloxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl]-5-propan-2-yloxyphenyl] methanesulfonate
• CAS: 1213240-86-8
• 化学式: C₃₇H₄₅NO₉S
• 分子量: 679.832
• InChiKey: ZGSBRKUJKFIDPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  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

文献信息

• Novel hybrids from lamellarin D and combretastatin A 4 as cytotoxic agents
  作者：Li Shen、Xiaochun Yang、Bo Yang、Qiaojun He、Yongzhou Hu

  DOI：10.1016/j.ejmech.2009.09.017

  日期：2010.1

  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.