5-Ethyl-4-(1H-indazol-5-ylamino)-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester | 869067-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 5-Ethyl-4-(1H-indazol-5-ylamino)-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
• 英文别名: ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[1,2-a][1,2,4]triazine-6-carboxylate；ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
• CAS: 869067-03-8
• 化学式: C₁₈H₁₈N₆O₂
• 分子量: 350.38
• InChiKey: XSFGXVBMHUSTNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  97.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二乙基-3-乙基-1H-吡咯-2,4-二羧酸酯 在 二苯基膦酰羟胺 、 sodium hydride 、 三乙胺 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 5-Ethyl-4-(1H-indazol-5-ylamino)-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester
  参考文献：
  名称：

  New dual inhibitors of EGFR and HER2 protein tyrosine kinases

  摘要：

  A novel series of dual EGFR and HER2 inhibitors based on the pyrrolo[2,1-f][1,2,4]triazine nucleus is described. A general route toward their synthesis, which enables functionalization at multiple sites, has been developed. Biological evaluation in enzymatic and cell-based assays has identified a series of C-6 carbamates with potent biochemical and cellular activities.

  DOI：

  10.1016/j.bmcl.2005.07.027

文献信息

• New dual inhibitors of EGFR and HER2 protein tyrosine kinases
  作者：Brian E. Fink、Gregory D. Vite、Harold Mastalerz、John F. Kadow、Soong-Hoon Kim、Kenneth J. Leavitt、Karen Du、Donald Crews、Toomas Mitt、Tai W. Wong、John T. Hunt、Dolatrai M. Vyas、John S. Tokarski

  DOI：10.1016/j.bmcl.2005.07.027

  日期：2005.11

  A novel series of dual EGFR and HER2 inhibitors based on the pyrrolo[2,1-f][1,2,4]triazine nucleus is described. A general route toward their synthesis, which enables functionalization at multiple sites, has been developed. Biological evaluation in enzymatic and cell-based assays has identified a series of C-6 carbamates with potent biochemical and cellular activities.