2-[(7-methoxy-3-methyl-4-oxo-1H-isochromen-8-yl)oxy]ethyl nitrate | 1411987-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 2-[(7-methoxy-3-methyl-4-oxo-1H-isochromen-8-yl)oxy]ethyl nitrate
• CAS: 1411987-67-1
• 化学式: C₁₃H₁₅NO₇
• 分子量: 297.265
• InChiKey: QVCBPODFQDNESJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  99.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  XJP-L 在 silver nitrate 、 potassium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 3.5h， 生成 2-[(7-methoxy-3-methyl-4-oxo-1H-isochromen-8-yl)oxy]ethyl nitrate
  参考文献：
  名称：

  Novel nitric oxide-releasing isochroman-4-one derivatives: Synthesis and evaluation of antihypertensive activity

  摘要：

  By coupling nitric oxide (NO)-donor moieties with a natural antihypertensive product (+/-)-7,8-dihydroxy3-methyl-isochroman-4-one [(+/-)-XJPI and its analogue (+/-)-XJP-B, a series of novel NO-releasing isochroman-4-one derivatives were designed and synthesized. The NO-releasing assay indicated that compounds Ia, Id, IIIb and IIIe released the maximum amount of NO. The maximum reductions of blood pressure of Ia, IIIb and IIIe in SHRs were nearly 40%, which was obviously superior to that of the lead compounds and comparable to that of reference drug captopril. These results suggested that NO-donor/natural product hybrids may provide a promising approach for the discovery of novel antihypertensive agents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.09.043

文献信息

• Novel nitric oxide-releasing isochroman-4-one derivatives: Synthesis and evaluation of antihypertensive activity
  作者：Renren Bai、Xue Yang、Yao Zhu、Zhiwen Zhou、Weijia Xie、Hequan Yao、Jieyun Jiang、Jie Liu、Mingqin Shen、Xiaoming Wu、Jinyi Xu

  DOI：10.1016/j.bmc.2012.09.043

  日期：2012.12

  By coupling nitric oxide (NO)-donor moieties with a natural antihypertensive product (+/-)-7,8-dihydroxy3-methyl-isochroman-4-one [(+/-)-XJPI and its analogue (+/-)-XJP-B, a series of novel NO-releasing isochroman-4-one derivatives were designed and synthesized. The NO-releasing assay indicated that compounds Ia, Id, IIIb and IIIe released the maximum amount of NO. The maximum reductions of blood pressure of Ia, IIIb and IIIe in SHRs were nearly 40%, which was obviously superior to that of the lead compounds and comparable to that of reference drug captopril. These results suggested that NO-donor/natural product hybrids may provide a promising approach for the discovery of novel antihypertensive agents. (C) 2012 Elsevier Ltd. All rights reserved.