Propyl 2-amino-4-nitrobenzoate | 1038342-90-3

• 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: Propyl 2-amino-4-nitrobenzoate
• CAS: 1038342-90-3
• 化学式: C₁₀H₁₂N₂O₄
• mdl: MFCD11451445
• 分子量: 224.216
• InChiKey: FPRFEYZUTRBXKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  98.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Propyl 2-amino-4-nitrobenzoate 、 2-溴苯甲酰氯 以 二氯甲烷 为溶剂， 反应 16.0h， 以45%的产率得到Propyl 2-[(2-bromobenzoyl)amino]-4-nitrobenzoate
  参考文献：
  名称：

  Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs

  摘要：

  Fifty-two 2-benzoylaminobenzoate analogs were synthesized and subjected to anti-platelet aggregation assay using arachidonic acid (AA), collagen (Col), thrombin (Thr), and U46619 as inducers. The results revealed that most of 2-benzoylaminobenzoic acid derivatives showed a selectively inhibitory effect on AA-induced platelet aggregation. As a result of the 2-benzoylaminobenzoic acid derivatives (18, 44, and 46), there were no inhibitory effects on platelet aggregation induced by U46619, but these elicited an inhibitory effect on thromboxane B-2 formation at 1.0 mu M. These 2-benzoylaminobenzoate analogs were therefore proposed as cyclooxygenase inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.03.071
• 作为产物：
  描述：

  丙醇 、 2-氨基-4-硝基苯甲酸 在 磺酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 生成 Propyl 2-amino-4-nitrobenzoate
  参考文献：
  名称：

  Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs

  摘要：

  Fifty-two 2-benzoylaminobenzoate analogs were synthesized and subjected to anti-platelet aggregation assay using arachidonic acid (AA), collagen (Col), thrombin (Thr), and U46619 as inducers. The results revealed that most of 2-benzoylaminobenzoic acid derivatives showed a selectively inhibitory effect on AA-induced platelet aggregation. As a result of the 2-benzoylaminobenzoic acid derivatives (18, 44, and 46), there were no inhibitory effects on platelet aggregation induced by U46619, but these elicited an inhibitory effect on thromboxane B-2 formation at 1.0 mu M. These 2-benzoylaminobenzoate analogs were therefore proposed as cyclooxygenase inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.03.071