N-(3,5-dimethylphenyl)-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide | 893666-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(3,5-dimethylphenyl)-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide
• 英文别名: 6,8-dichloro-N-(3,5-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide；6,8-dichloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
• CAS: 893666-43-8
• 化学式: C₁₈H₁₃Cl₂NO₃
• 分子量: 362.212
• InChiKey: OGDFRBNWXDWIQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  ethyl 6,8-dichloro-2-oxo-2H-chromene-3-carboxylate 、 1-氨基-3,5-二甲苯 在 1,3-dimethyl-1H-imidazol-3-ium hexafluorophosphate 作用下， 以 乙醇 为溶剂， 以67%的产率得到N-(3,5-dimethylphenyl)-6,8-dichloro-2-oxo-2H-1-benzopyran-3-carboxamide
  参考文献：
  名称：

  Novel 3-Carboxamide-coumarins as Potent and Selective FXIIa Inhibitors

  摘要：

  Recently, FXIIa was highlighted as an original attractive target for the development of new anticoagulant drugs with low rates of therapy-related hemorrhages. In this work, we describe the development of a new series of 3-carboxamide-coumarins that are the first potent and selective nonpeptidic inhibitors of FXIIa.

  DOI：

  10.1021/jm8002697

文献信息

• Novel 3-Carboxamide-coumarins as Potent and Selective FXIIa Inhibitors
  作者：Séverine Robert、Carine Bertolla、Bernard Masereel、Jean-Michel Dogné、Lionel Pochet

  DOI：10.1021/jm8002697

  日期：2008.6.1

  Recently, FXIIa was highlighted as an original attractive target for the development of new anticoagulant drugs with low rates of therapy-related hemorrhages. In this work, we describe the development of a new series of 3-carboxamide-coumarins that are the first potent and selective nonpeptidic inhibitors of FXIIa.