methyl 4-(3-(dimethylamino)propoxy)-3-methylazulene-1-carboxylate | 1255651-28-5

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: methyl 4-(3-(dimethylamino)propoxy)-3-methylazulene-1-carboxylate
• CAS: 1255651-28-5
• 化学式: C₁₈H₂₃NO₃
• 分子量: 301.386
• InChiKey: FBVGUKSGQBPJHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  38.77
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl 4-(3-(dimethylamino)propoxy)-3-methylazulene-1-carboxylate 在 二异丁基氢化铝 作用下， 以 乙醚 为溶剂， 生成
  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
• 作为产物：
  描述：

  methyl 4-(3-bromopropoxy)-3-methylazulene-1-carboxylate 、 二甲胺 以 乙腈 为溶剂， 生成 methyl 4-(3-(dimethylamino)propoxy)-3-methylazulene-1-carboxylate
  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