2-(4-methyl-2-oxo-2H-benzo[h]chromen-7-yloxy)acetic acid | 1374677-15-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2-(4-methyl-2-oxo-2H-benzo[h]chromen-7-yloxy)acetic acid
• CAS: 1374677-15-2
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: NCFGZOBQOVKGKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.74
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(4-methyl-2-oxo-2H-benzo[h]chromen-7-yloxy)acetic acid 在 氯化亚砜 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 2-(4-methyl-2-oxo-2H-benzo[h]chromen-7-yloxy)-N-(4-sulfamoylphenyl)acetamide
  参考文献：
  名称：

  Synthesis and evaluation of anti-thrombotic activity of benzocoumarin amide derivatives

  摘要：

  A series of novel benzocoumarin amide derivatives have been synthesized and evaluated for their antithrombotic activity. Amongst these, compounds 5, 7 and 8 exhibited promising anti-thrombotic profile in an established model of mouse thrombosis. Hence, comprehensive profiling on platelet aggregation and coagulation parameters was carried out to assess its potential as a lead candidate. In vitro treatment of these compounds in mice plasma resulted into significant reduction in ADP (p < 0.01) and collagen (p < 0.001) induced platelet aggregation. Moreover, Compounds 5, 7 and 8 also significantly increased thrombin time (p < 0.05). Thus, in the present study, these benzocoumarin amide derivatives exhibited anti-thrombotic profile via both anti-platelet as well as anti-coagulant action. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.059
• 作为产物：
  描述：

  1,5-二羟基萘 在 盐酸 、 水 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 乙醇 、 溶剂黄146 、 乙腈 为溶剂， 反应 11.0h， 生成 2-(4-methyl-2-oxo-2H-benzo[h]chromen-7-yloxy)acetic acid
  参考文献：
  名称：

  Synthesis and evaluation of anti-thrombotic activity of benzocoumarin amide derivatives

  摘要：

  A series of novel benzocoumarin amide derivatives have been synthesized and evaluated for their antithrombotic activity. Amongst these, compounds 5, 7 and 8 exhibited promising anti-thrombotic profile in an established model of mouse thrombosis. Hence, comprehensive profiling on platelet aggregation and coagulation parameters was carried out to assess its potential as a lead candidate. In vitro treatment of these compounds in mice plasma resulted into significant reduction in ADP (p < 0.01) and collagen (p < 0.001) induced platelet aggregation. Moreover, Compounds 5, 7 and 8 also significantly increased thrombin time (p < 0.05). Thus, in the present study, these benzocoumarin amide derivatives exhibited anti-thrombotic profile via both anti-platelet as well as anti-coagulant action. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.059