(benzofuran-2-yl)(4,5-dihydro-5-(4-nitrophenyl)-3-phenylpyrazol-1-yl)methanone | 1298096-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (benzofuran-2-yl)(4,5-dihydro-5-(4-nitrophenyl)-3-phenylpyrazol-1-yl)methanone
• 英文别名: 1-Benzofuran-2-yl-[3-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
• CAS: 1298096-97-5
• 化学式: C₂₄H₁₇N₃O₄
• 分子量: 411.417
• InChiKey: KLHYHHTUPNHIAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-苯并呋喃羧基 酸乙酯 在 一水合肼 、 溶剂黄146 作用下， 反应 0.17h， 生成 (benzofuran-2-yl)(4,5-dihydro-5-(4-nitrophenyl)-3-phenylpyrazol-1-yl)methanone
  参考文献：
  名称：

  Synthesis of some novel benzofuran-2-yl(4,5-dihyro-3,5-substituted diphenylpyrazol-1-yl) methanones and studies on the antiproliferative effects and reversal of multidrug resistance of human MDR1-gene transfected mouse lymphoma cells in vitro

  摘要：

  A new series of benzofuran-2-yl(4,5-diydro-3,5-substituted diphenylpyrazol-1-yl) methanone derivatives 8a-x by the reaction of the benzofuran-2-carbohydrazides 7 with various chalcone derivatives 3a-x using microwave irradiation has been described. The effect of synthesized compounds 8a v was studied against human cancer cell lines for their antiproliferative activity and reversal of multidrug resistance on human MDR1-gene transfected mouse lymphoma cells. Among the 24 compounds, the 8c and 8h showed good antiproliferative activity 8b, 8f and 8k were exhibited good MDR reversal activity. The main significance of the process is easy workup process, short reaction time and high yield of the new compounds for biological interest. However, the studies on genetically modified multidrug resistant cancer cells are costly and time consuming. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.02.045