2-(3,4-dimethoxyphenyl)-2-isopropyl-5-((2-((2-oxo-2H-furo[3,2-g]chromen-9-yl)oxy)ethyl)amino)pentanenitrile | 1451067-59-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-((2-((2-oxo-2H-furo[3,2-g]chromen-9-yl)oxy)ethyl)amino)pentanenitrile
• 英文别名: 2-(3,4-Dimethoxyphenyl)-5-[2-(7-oxofuro[3,2-g]chromen-9-yl)oxyethylamino]-2-propan-2-ylpentanenitrile；2-(3,4-dimethoxyphenyl)-5-[2-(7-oxofuro[3,2-g]chromen-9-yl)oxyethylamino]-2-propan-2-ylpentanenitrile
• CAS: 1451067-59-6
• 化学式: C₂₉H₃₂N₂O₆
• 分子量: 504.583
• InChiKey: OZMVHSATEAUGHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  花椒毒醇 在 potassium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 84.5h， 生成 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-((2-((2-oxo-2H-furo[3,2-g]chromen-9-yl)oxy)ethyl)amino)pentanenitrile
  参考文献：
  名称：

  Design, synthesis and evaluation of 9-hydroxy-7H-furo[3,2-g]chromen-7-one derivatives as new potential vasodilatory agents

  摘要：

  Two new 9-hydroxy-7H-furo[3,2-g]chromen-7-one derivatives were designed, synthesized and evaluated for their in vitro vasodilatory activity. The structures of two compounds were elucidated by infrared, H-1 NMR, and mass spectral data. The invitro pharmacological evaluation indicated that both of them possessed well vasodilatory activity compared with imperatorin. The molecule docking also showed two target compounds docked well with L-calcium channel (PDB code: 3G43). The result suggested that they would be potential vasodilatory agents for hypertension.

  DOI：

  10.1080/10286020.2013.874345

文献信息

• Design, synthesis and evaluation of 9-hydroxy-7H-<i>furo</i>[3,2-g]chromen-7-one derivatives as new potential vasodilatory agents
  作者：Cheng Wang、Tao Wang、Nan Zhou、Xiao-Yan Pan、Huai-Zhen He

  DOI：10.1080/10286020.2013.874345

  日期：2014.3.4

  Two new 9-hydroxy-7H-furo[3,2-g]chromen-7-one derivatives were designed, synthesized and evaluated for their in vitro vasodilatory activity. The structures of two compounds were elucidated by infrared, H-1 NMR, and mass spectral data. The invitro pharmacological evaluation indicated that both of them possessed well vasodilatory activity compared with imperatorin. The molecule docking also showed two target compounds docked well with L-calcium channel (PDB code: 3G43). The result suggested that they would be potential vasodilatory agents for hypertension.