ethyl 2-(3-amino-5-(4-ethylbenzyl)phenylamino)-2-oxoacetate | 1268374-18-0

• 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: ethyl 2-(3-amino-5-(4-ethylbenzyl)phenylamino)-2-oxoacetate
• CAS: 1268374-18-0
• 化学式: C₁₉H₂₂N₂O₃
• 分子量: 326.395
• InChiKey: RHXNVYCJIHYASM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  81.42
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(4-((1-benzyl-1H-imidazol-4-yl)methyl)phenyl)acetic acid 、 ethyl 2-(3-amino-5-(4-ethylbenzyl)phenylamino)-2-oxoacetate 在 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 吡啶 为溶剂， 反应 21.0h， 以49%的产率得到ethyl 2-(3-(2-(4-((1-benzyl-1H-imidazol-4-yl)methyl)phenyl)acetamido)-5-(4-ethylbenzyl)phenylamino)-2-oxoacetate
  参考文献：
  名称：

  Synthesis and biological evaluation of a novel anti-malarial lead

  摘要：

  Malaria is re-emerging in many tropical areas of the world and is often fatal due to drug resistance, leading to about a million deaths each year. Multiple drug resistance has required new efforts in drug discovery and development. Thus, the search for new drugs operating by novel mechanisms of action is receiving increased attention. Herein we report the synthesis and biological evaluation of a novel anti-malarial with micromolar activity against resistant strains of the parasite.

  DOI：

  10.1007/s00044-010-9325-2
• 作为产物：
  描述：

  4-乙基苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 、 sodium carbonate 、 N,N-二异丙基乙胺 、 锌 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 反应 29.0h， 生成 ethyl 2-(3-amino-5-(4-ethylbenzyl)phenylamino)-2-oxoacetate
  参考文献：
  名称：

  Synthesis and biological evaluation of a novel anti-malarial lead

  摘要：

  Malaria is re-emerging in many tropical areas of the world and is often fatal due to drug resistance, leading to about a million deaths each year. Multiple drug resistance has required new efforts in drug discovery and development. Thus, the search for new drugs operating by novel mechanisms of action is receiving increased attention. Herein we report the synthesis and biological evaluation of a novel anti-malarial with micromolar activity against resistant strains of the parasite.

  DOI：

  10.1007/s00044-010-9325-2