[1-(4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester | 859205-89-3

• 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: [1-(4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[1-[(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]piperidin-4-yl]carbamate
• CAS: 859205-89-3
• 化学式: C₁₈H₂₇N₅O₂S
• 分子量: 377.511
• InChiKey: MNSGRWOMRGSMGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  97.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [1-(4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester 在 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 5-[(4-aminopiperidin-1-yl)methyl]-N-propan-2-ylpyrrolo[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
• 作为产物：
  描述：

  4-氯-5-甲基吡咯并[2,1-f][1,2,4]三嗪 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氢呋喃 、 四氯化碳 、 水 、 1,2-二氯乙烷 为溶剂， 反应 3.5h， 生成 [1-(4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  EP3792263

  摘要：

  公开号：

文献信息

• [EN] PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSES DE PYRROLOTRIAZINE SERVANT D'INHIBITEURS DE KINASES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005066176A1

  公开（公告）日：2005-07-21

  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.

  本发明提供了式（I）的化合物；以及其药学上可接受的盐。式（I）的化合物抑制生长因子受体如HER1、HER2和HER4的酪氨酸激酶活性，从而使它们作为抗增殖剂有用。式（I）的化合物还可用于治疗与通过生长因子受体进行的信号转导途径相关的其他疾病。
• Di-substituted pyrrolotrizine compounds
  申请人：Gavai V. Ashvinikumar

  公开号：US20050197339A1

  公开（公告）日：2005-09-08

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The compounds 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.

  本发明提供了式I的化合物及其药用盐。本发明的化合物抑制生长因子受体的酪氨酸激酶活性，如HER1、HER2和HER4，从而使它们在癌症和其他疾病治疗中作为抗增殖剂具有用途。
• 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。
• Di-substituted pyrrolotriazine compounds
  申请人：Bristol Myers Squibb Company

  公开号：US07064203B2

  公开（公告）日：2006-06-20

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The compounds 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.

  本发明提供了公式I的化合物及其药学上可接受的盐。本发明的化合物抑制生长因子受体如HER1、HER2和HER4的酪氨酸激酶活性，因此可用作抗增殖剂治疗癌症和其他疾病。