2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholin-4-yl-phenyl)-2-phenyl-acetamide | 374564-64-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholin-4-yl-phenyl)-2-phenyl-acetamide
• 英文别名: 2-(3-carbamimidoylphenoxy)-N-(3-fluoro-4-morpholin-4-ylphenyl)-2-phenylacetamide
• CAS: 374564-64-4
• 化学式: C₂₅H₂₅FN₄O₃
• 分子量: 448.497
• InChiKey: AXILADQNESPWAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-氰基苯酚 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 2-(3-Carbamimidoyl-phenoxy)-N-(3-fluoro-4-morpholin-4-yl-phenyl)-2-phenyl-acetamide
  参考文献：
  名称：

  Design and synthesis of glycolic and mandelic acid derivatives as factor Xa inhibitors

  摘要：

  A series of glycolic and mandelic acid derivatives was synthesized and investigated for their factor Xa inhibitory activity. These analogues are highly potent and selective inhibitors against fXa. In a rabbit deep vein thrombosis model, compound 26 showed significant antithrombotic effects (81% inhibition of thrombus formation) at 1.1 muM plasma concentration following intravenous administration. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(01)00447-4

文献信息

• Design and synthesis of glycolic and mandelic acid derivatives as factor Xa inhibitors
  作者：Ting Su、Yanhong Wu、Brandon Doughan、Kim Kane-Maguire、Charles K Marlowe、James P Kanter、John Woolfrey、Brian Huang、Paul Wong、Uma Sinha、Gary Park、John Malinowski、Stan Hollenbach、Robert M Scarborough、Bing-Yan Zhu

  DOI：10.1016/s0960-894x(01)00447-4

  日期：2001.9

  A series of glycolic and mandelic acid derivatives was synthesized and investigated for their factor Xa inhibitory activity. These analogues are highly potent and selective inhibitors against fXa. In a rabbit deep vein thrombosis model, compound 26 showed significant antithrombotic effects (81% inhibition of thrombus formation) at 1.1 muM plasma concentration following intravenous administration. (C) 2001 Published by Elsevier Science Ltd.