5-[(4-amino-1-piperidinyl)methyl]-N-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并三嗪类
• 英文名称: 5-[(4-amino-1-piperidinyl)methyl]-N-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• 英文别名: 5-((4-aminopiperidin-1-yl)methyl)-N-(3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine；5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• 化学式: C₁₈H₂₁ClN₆
• 分子量: 356.858
• InChiKey: YSXGNIUKUJNNPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  71.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine 在 三氟乙酸 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 生成 5-[(4-amino-1-piperidinyl)methyl]-N-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
  参考文献：
  名称：

  Novel pyrrolo[2,1-f][1,2,4]triazin-4-amines: Dual inhibitors of EGFR and HER2 protein tyrosine kinases

  摘要：

  A novel series of 5-((4-aminopiperidin-1-yl) methyl)-pyrrolo[ 2,1-f][ 1,2,4] triazin-4-amines with small aniline substituents at the C4 position were optimized for dual EGFR and HER2 protein tyrosine kinase inhibition. Compound 81 exhibited promising oral efficacy in both EGFR and HER2-driven human tumor xenograft models. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.100

文献信息

• Pyrrolotriazine compounds as kinase inhibitors
  申请人：Fink E. Brian

  公开号：US20050182058A1

  公开（公告）日：2005-08-18

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of growth factor receptors such as HER1, HER2 and HER4 thereby making them useful as antiproliferative agents. The formula I compounds are also useful for the treatment of other diseases associated with signal transduction pathways operating through growth factor receptors.

  本发明提供了I式化合物及其药学上可接受的盐。式I化合物抑制生长因子受体，如HER1、HER2和HER4的酪氨酸激酶活性，因此使它们成为抗增殖剂。式I化合物还可用于治疗与通过生长因子受体操作的信号转导途径相关的其他疾病。
• PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS
  申请人：Fink E. Brian

  公开号：US20060264438A1

  公开（公告）日：2006-11-23

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of growth factor receptors such as HER1, HER2 and HER4 thereby making them useful as antiproliferative agents. The formula I compounds are also useful for the treatment of other diseases associated with signal transduction pathways operating through growth factor receptors.

  本发明提供了I式化合物及其药学上可接受的盐。式I化合物抑制生长因子受体的酪氨酸激酶活性，如HER1、HER2和HER4，因此可作为抗增殖剂使用。式I化合物还可用于治疗与通过生长因子受体进行信号转导途径相关的其他疾病。
• Synthetic process
  申请人：Chen Ping

  公开号：US20060155125A1

  公开（公告）日：2006-07-13

  The present invention provides a process for preparing compounds of formula (IV) or a pharmaceutically acceptable salt thereof. The compounds prepared by the process of the invention inhibit tyrosine kinase activity of growth factor receptors such as HER1, HER2 and HER4 thereby making them useful as antiproliferative agents for the treatment of cancer and other diseases.

  本发明提供了一种制备式（IV）化合物或其药物可接受盐的工艺。 或其药学上可接受的盐的工艺。通过本发明工艺制备的化合物可抑制生长因子受体（如 HER1、HER2 和 HER4）的酪氨酸激酶活性，从而可用作治疗癌症和其他疾病的抗增殖剂。
• US7141571B2
  申请人：——

  公开号：US7141571B2

  公开（公告）日：2006-11-28
• US7297695B2
  申请人：——

  公开号：US7297695B2

  公开（公告）日：2007-11-20