2-[3-[(1-butyl-3-oxo-1H-2-benzofuran-5-yl)carbamoyl]phenoxy]ethyl nitrate | 1428269-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-[3-[(1-butyl-3-oxo-1H-2-benzofuran-5-yl)carbamoyl]phenoxy]ethyl nitrate
• CAS: 1428269-51-5
• 化学式: C₂₁H₂₂N₂O₇
• 分子量: 414.415
• InChiKey: HGWGOHFHEBRKMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-丁基-1(3H)-异苯并呋喃酮 在 硫酸 、 铁粉 、 氯化铵 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 potassium nitrate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 14.5h， 生成 2-[3-[(1-butyl-3-oxo-1H-2-benzofuran-5-yl)carbamoyl]phenoxy]ethyl nitrate
  参考文献：
  名称：

  Synthesis and biological evaluation of nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide as potential antiplatelet agents

  摘要：

  A series of novel nitric oxide releasing derivatives of 6-amino-3-n-butylphthalide were designed, synthesized and evaluated as potential antiplatelet agents. Compound 10b significantly inhibited the adenosine diphosphate (ADP)-induced platelet aggregation in vitro, superior to 6-amino-3-n-butylphthalide, 3-n-butylphthalide (NBP) and ticlopidine. Meanwhile 10b released moderate levels of NO, which could be beneficial for improving cardiovascular and cerebral circulation. Furthermore, 10b had an enhanced aqueous solubility relative to NBP. These findings may provide new insights into the development of novel antiplatelet agents for the treatment of thrombosis-related ischemic stroke. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.035