1-(4-aminophenyl)-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]urea | 1009320-74-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-aminophenyl)-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]urea
• CAS: 1009320-74-4
• 化学式: C₂₄H₁₉N₅O₃
• 分子量: 425.447
• InChiKey: UMWVRSOGAPROHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(4-aminophenyl)-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]urea 在 三氯化铝 、 乙硫醇 作用下， 以22%的产率得到1-(4-Amino-phenyl)-3-[3-(4-hydroxy-phenyl)-4-oxo-2,4-dihydro-indeno[1,2-c]pyrazol-5-yl]-urea
  参考文献：
  名称：

  Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening

  摘要：

  A series of indenopyrazoles 8 and 9 were designed and synthesized as EGFR tyrosine kinase inhibitors by in silico high-throughput screening. Compounds 8b and 8d showed significant inhibition of A431 cell growth (GI(50) = 0.062 and 0.057 mu M, respectively). Compounds 8b and 9a showed inhibitory activity toward both EGFR and VEGFR-2 (KDR) tyrosine kinases, whereas 8d inhibited VEGFR-2 tyrosine kinase, exclusively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.084
• 作为产物：
  描述：

  1-(4-aminophenyl)-3-(2-(4-methoxybenzoyl)-1,3-dioxo-2,3-dihydro-1H-inden-4-yl)urea 在 对甲苯磺酸 、 肼 作用下， 以 乙醇 为溶剂， 生成 1-(4-aminophenyl)-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]urea
  参考文献：
  名称：

  Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening

  摘要：

  A series of indenopyrazoles 8 and 9 were designed and synthesized as EGFR tyrosine kinase inhibitors by in silico high-throughput screening. Compounds 8b and 8d showed significant inhibition of A431 cell growth (GI(50) = 0.062 and 0.057 mu M, respectively). Compounds 8b and 9a showed inhibitory activity toward both EGFR and VEGFR-2 (KDR) tyrosine kinases, whereas 8d inhibited VEGFR-2 tyrosine kinase, exclusively. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.084