(4-氨基-3-溴-苯基)-吡咯烷-1-基-甲酮 | 1019018-76-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (4-氨基-3-溴-苯基)-吡咯烷-1-基-甲酮
• 英文名称: (4-Amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
• CAS: 1019018-76-8
• 化学式: C₁₁H₁₃BrN₂O
• 分子量: 269.141
• InChiKey: OEUHNNFDCSUYSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-氨基-3-溴-苯基)-吡咯烷-1-基-甲酮 在 盐酸 、 甲醇 、 三甲基铝 作用下， 以 二氯甲烷 为溶剂， 生成 N-[2-Bromo-4-(pyrrolidine-1-carbonyl)-phenyl]-2-(3-carbamimidoyl-phenoxy)-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
• 作为产物：
  描述：

  (4-硝基苯基)(吡咯烷-1-基)甲酮 在 palladium on activated charcoal 氢气 、 溶剂黄146 、 pyridinium hydrobromide perbromide 作用下， 生成 (4-氨基-3-溴-苯基)-吡咯烷-1-基-甲酮
  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