N-[3-(1H-indazol-5-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 354787-70-5

• 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-(1H-indazol-5-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
• CAS: 354787-70-5
• 化学式: C₂₃H₁₈N₄O₂
• 分子量: 382.422
• InChiKey: KCUDZKDSAASYIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.9
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-benzylidene-2-phenyloxazole-5(4H)-one 、 5-氨基吲唑 以 乙二醇 为溶剂， 反应 0.2h， 以73%的产率得到N-[3-(1H-indazol-5-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
  参考文献：
  名称：

  Facile Diversity-Oriented Synthesis of Novel Dipeptide Mimetic Compounds Containing Bioactive Molecular Skeletons under Microwave Irradiation

  摘要：

  The diversity-oriented synthesis of dipeptide mimetic compounds embedded with bioactive molecular skeletons have been successfully established via microwave-assisted reactions between various 4-arylidene-2-phenyloxazol-5(4H)-ones and a broad scope of amines including aliphatic, aromatic, and heteroaromatic ones. This synthetic approach has prominent features of short reaction time, high yields, operational simplicity,as well as widespread applications, leading to a facile and straightforward access to structurally diverse dipeptide analogues with, potential bioactivities, Moreover, the preliminary evaluation on the cytotoxic activity of this type-of dipeptide derivatives has resulted in the finding of five Compounds with stronger cytotoxicity than doxorubicin hydrochloride at the concentration of 10 mu g/mL.

  DOI：

  10.1021/co1000458

文献信息

• Facile Diversity-Oriented Synthesis of Novel Dipeptide Mimetic Compounds Containing Bioactive Molecular Skeletons under Microwave Irradiation
  作者：Feng Shi、An-Xiao Dai、Xiao-Hong Zhang、Bo Jiang、Shu-Jiang Tu

  DOI：10.1021/co1000458

  日期：2011.3.14

  The diversity-oriented synthesis of dipeptide mimetic compounds embedded with bioactive molecular skeletons have been successfully established via microwave-assisted reactions between various 4-arylidene-2-phenyloxazol-5(4H)-ones and a broad scope of amines including aliphatic, aromatic, and heteroaromatic ones. This synthetic approach has prominent features of short reaction time, high yields, operational simplicity,as well as widespread applications, leading to a facile and straightforward access to structurally diverse dipeptide analogues with, potential bioactivities, Moreover, the preliminary evaluation on the cytotoxic activity of this type-of dipeptide derivatives has resulted in the finding of five Compounds with stronger cytotoxicity than doxorubicin hydrochloride at the concentration of 10 mu g/mL.