(Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropoxy)azulen-1-yl)methylene)indolin-2-one | 1255651-50-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: (Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropoxy)azulen-1-yl)methylene)indolin-2-one
• 英文别名: (3Z)-4,5-difluoro-3-[[3-methyl-4-(3-morpholin-4-ylpropoxy)azulen-1-yl]methylidene]-1H-indol-2-one
• CAS: 1255651-50-3
• 化学式: C₂₇H₂₆F₂N₂O₃
• 分子量: 464.512
• InChiKey: GWRSJXLJZMPWFN-SILNSSARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  50.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (3aE,5Z,7Z)-4-(3-morpholinopropoxy)-3-methylazulene-1-carbaldehyde 、 4,5-二氟吲哚酮 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 (Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropoxy)azulen-1-yl)methylene)indolin-2-one
  参考文献：
  名称：

  Novel azulene-based derivatives as potent multi-receptor tyrosine kinase inhibitors

  摘要：

  A series of azulene-based derivatives were synthesized as potent inhibitors for receptor tyrosine kinases such as FMS-like tyrosine kinase 3 (FLT-3). Systematic side chain modification of prototype 1a was carried out through SAR studies. Analogue 22 was identified from this series and found to be one of the most potent FLT-3 inhibitors, with good pharmaceutical properties, superior efficacy, and tolerability in a tumor xenograft model. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.025