2-(3-(4-(benzofuran-2-yl)phenoxy)propyl)isoindoline-1,3-dione | 1375085-34-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-(3-(4-(benzofuran-2-yl)phenoxy)propyl)isoindoline-1,3-dione
• CAS: 1375085-34-9
• 化学式: C₂₅H₁₉NO₄
• 分子量: 397.43
• InChiKey: REVCVXZVEMFNMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.75
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(3-(4-(benzofuran-2-yl)phenoxy)propyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3-(4-(benzofuran-2-yl)phenoxy)propan-1-amine
  参考文献：
  名称：

  Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids

  摘要：

  A series of berberine-phenyl-benzoheterocyclic (26-29) and tacrine-phenyl-benzoheterocyclic hybrids (44-46) were synthesised and evaluated as multifunctional anti-Alzheimer's disease agents. Compound 44b, tacrine linked with phenyl-benzothiazole by 3-carbon spacers, was the most potent AChE inhibitor with an IC50 value of 0.017 mu M. This compound demonstrated similar A beta aggregation inhibitory activity with cucurmin (51.8% vs 52.1% at 20 mu M, respectively), indicating that this hybrid is an excellent multifunctional drug candidate for AD. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.02.059
• 作为产物：
  描述：

  水杨醛 在 sodium tetrahydroborate 、 三溴化硼 、 potassium carbonate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 4.0h， 生成 2-(3-(4-(benzofuran-2-yl)phenoxy)propyl)isoindoline-1,3-dione
  参考文献：
  名称：

  Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids

  摘要：

  A series of berberine-phenyl-benzoheterocyclic (26-29) and tacrine-phenyl-benzoheterocyclic hybrids (44-46) were synthesised and evaluated as multifunctional anti-Alzheimer's disease agents. Compound 44b, tacrine linked with phenyl-benzothiazole by 3-carbon spacers, was the most potent AChE inhibitor with an IC50 value of 0.017 mu M. This compound demonstrated similar A beta aggregation inhibitory activity with cucurmin (51.8% vs 52.1% at 20 mu M, respectively), indicating that this hybrid is an excellent multifunctional drug candidate for AD. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.02.059