(2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-p-tolylmethanone | 1025740-41-3

• 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-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-p-tolylmethanone
• 英文别名: [2-[4-[7-[benzyl(methyl)amino]heptoxy]phenyl]-1-benzofuran-3-yl]-(4-methylphenyl)methanone
• CAS: 1025740-41-3
• 化学式: C₃₇H₃₉NO₃
• 分子量: 545.722
• InChiKey: ASTZQAAKBGEWAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  41
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  42.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [7-(4-benzofuran-2-yl-phenoxy)heptyl]benzylmethylamine 、 对甲基苯甲酰氯 在 四氯化锡 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到(2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzofuran-3-yl)-p-tolylmethanone
  参考文献：
  名称：

  Benzofuran-Based Hybrid Compounds for the Inhibition of Cholinesterase Activity, β Amyloid Aggregation, and Aβ Neurotoxicity

  摘要：

  The complex etiology of Alzheimer's disease (AD) prompts scientists to develop multitarget strategies to combat causes and symptoms. We therefore designed, synthesized, and tested new hybrid molecules linking a benzofuran ring to a N-methyl-N-benzylamine through a heptyloxy chain, affording a series of potential multifunctional drugs for AD. The cholinesterase inhibitory activity was extended to the inhibition of A beta fibril formation for 1, 3, and 5. Compound 3 showed an additional neuroprotective effect.

  DOI：

  10.1021/jm8002747

文献信息

• Benzofuran-Based Hybrid Compounds for the Inhibition of Cholinesterase Activity, β Amyloid Aggregation, and Aβ Neurotoxicity
  作者：Stefano Rizzo、Céline Rivière、Lorna Piazzi、Alessandra Bisi、Silvia Gobbi、Manuela Bartolini、Vincenza Andrisano、Fabiana Morroni、Andrea Tarozzi、Jean-Pierre Monti、Angela Rampa

  DOI：10.1021/jm8002747

  日期：2008.5.1

  The complex etiology of Alzheimer's disease (AD) prompts scientists to develop multitarget strategies to combat causes and symptoms. We therefore designed, synthesized, and tested new hybrid molecules linking a benzofuran ring to a N-methyl-N-benzylamine through a heptyloxy chain, affording a series of potential multifunctional drugs for AD. The cholinesterase inhibitory activity was extended to the inhibition of A beta fibril formation for 1, 3, and 5. Compound 3 showed an additional neuroprotective effect.