3-(6,7-Dichloro-3,5,8-trihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-propionic acid | 187149-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 3-(6,7-Dichloro-3,5,8-trihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-propionic acid
• CAS: 187149-28-6
• 化学式: C₁₃H₈Cl₂O₇
• 分子量: 347.108
• InChiKey: DDFDAPMDYORJKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.46
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  132.13
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  原甲酸三乙酯 、 3-(6,7-Dichloro-3,5,8-trihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-propionic acid 反应 3.0h， 以70%的产率得到6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-(2-ethoxycarbonylethyl)-1,4-naphthoquinone
  参考文献：
  名称：

  Synthesis of some hydroxynaphthazarins and their cardioprotective effects under ischemia-reperfusion in vivo

  摘要：

  A series of hydroxynaphthazarins has been synthesized. Some of them were found in in vivo experiments to be protectors of myocardium under ischemia-reperfusion and to reduce the infarction zone by 50% without any adverse effect. All compounds exhibit a moderate or small toxicity and are active in low doses. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00075-4
• 作为产物：
  描述：

  2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone 在 manganese(IV) oxide 、 硫酸 作用下， 以 叔丁醇 为溶剂， 反应 2.0h， 生成 3-(6,7-Dichloro-3,5,8-trihydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-propionic acid
  参考文献：
  名称：

  Synthesis of some hydroxynaphthazarins and their cardioprotective effects under ischemia-reperfusion in vivo

  摘要：

  A series of hydroxynaphthazarins has been synthesized. Some of them were found in in vivo experiments to be protectors of myocardium under ischemia-reperfusion and to reduce the infarction zone by 50% without any adverse effect. All compounds exhibit a moderate or small toxicity and are active in low doses. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00075-4