tert-butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate | 1137476-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
• 英文别名: tert-Butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate；tert-butyl 3-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(3-ethoxycarbonylpyrrol-1-yl)pyridin-4-yl]amino]methyl]piperidine-1-carboxylate
• CAS: 1137476-80-2
• 化学式: C₂₈H₃₄N₈O₄
• 分子量: 546.629
• InChiKey: WVZIDVYCMBDFBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate 在 对甲苯磺酸 、 氨 、 甲醇 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以to give ethyl 1-(6-(5-cyanopyrazin-2-ylamino)-4-(piperidin-3-ylmethylamino)pyridin-3-yl)-1H-pyrrole-3-carboxylate的产率得到ethyl 1-(6-(5-cyanopyrazin-2-ylamino)-4-(piperidin-3-ylmethylamino)pyridin-3-yl)-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use

  摘要：

  本发明涉及治疗化合物领域，更具体地涉及某些双芳基胺化合物（以下称为BAA化合物），尤其是某些吡嗪-2-基吡啶-2-基胺和吡嗪-2-基嘧啶-4-基胺化合物，它们可以抑制检查点激酶1（CHK1）激酶的功能。本发明还涉及包含这些化合物的药物组合物，以及在体内外使用这些化合物和组合物来抑制CHK1激酶的功能，并在治疗由CHK1介导的疾病和病况，通过抑制CHK1激酶的功能得到改善的疾病和病况，包括增殖性疾病如癌症等，可选择与另一种药物联合使用，例如（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向药物；和（e）电离辐射。

  公开号：

  US20120040967A1
• 作为产物：
  描述：

  乙基3-氟 在 Raney Ni 氢气 、 溴 、 potassium carbonate 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 80.0 ℃ 、1.0 MPa 条件下， 反应 11.0h， 生成 tert-butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE
  [FR] COMPOSÉS PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE ET PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE ET LEURS UTILISATIONS

  摘要：

  本发明一般涉及治疗化合物领域，更具体地涉及某些联苯胺化合物（在此称为BAA化合物），特别是某些式（I）的吡啶-2-基-吡啶-2-基-胺和吡嗪-2-基-吡啶-4-基-胺化合物，该化合物等抑制检查点激酶1（CHK1）激酶功能。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体外和体内抑制CHK1激酶功能，并治疗由CHK1介导的疾病和症状，通过抑制CHK1激酶功能而得到缓解的疾病和症状，包括增生性疾病如癌症等，可选择与另一药剂结合，例如，（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向剂；和（e）电离辐射。其中：-X=独立为-CRA5=或-N=；其余取代基如索引中所述。

  公开号：

  WO2009044162A1

文献信息

• Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use
  申请人：Collins Ian

  公开号：US20120040967A1

  公开（公告）日：2012-02-16

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain biarylamine compounds (referred to herein as BAA compounds), and especially certain pyrazin-2-yl-pyridin-2-yl-amine and pyrazine-2-yl-pyrimidin-4-yl-amine compounds, which, inter alia, inhibit Checkpoint Kinase 1 (CHK1) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK1 kinase function, and in the treatment of diseases and conditions that are mediated by CHK1, that are ameliorated by the inhibition of CHK1 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionising radiation.

  本发明涉及治疗化合物领域，更具体地涉及某些双芳基胺化合物（以下称为BAA化合物），尤其是某些吡嗪-2-基吡啶-2-基胺和吡嗪-2-基嘧啶-4-基胺化合物，它们可以抑制检查点激酶1（CHK1）激酶的功能。本发明还涉及包含这些化合物的药物组合物，以及在体内外使用这些化合物和组合物来抑制CHK1激酶的功能，并在治疗由CHK1介导的疾病和病况，通过抑制CHK1激酶的功能得到改善的疾病和病况，包括增殖性疾病如癌症等，可选择与另一种药物联合使用，例如（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向药物；和（e）电离辐射。
• PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE
  申请人：Cancer Research Technology Limited

  公开号：EP2197874B1

  公开（公告）日：2016-08-31
• [EN] PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE ET PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE ET LEURS UTILISATIONS
  申请人：CANCER REC TECH LTD

  公开号：WO2009044162A1

  公开（公告）日：2009-04-09

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain biarylamine compounds (referred to herein as BAA compounds), and especially certain pyrazin- 2 - yl -pyridin- 2 -yl -amine and pyrazine - 2 - yl -pyrimidin- 4 - yl -amine compounds of formula (I), which, inter alia, inhibit Checkpoint Kinase 1 (CHK1 ) kinase function The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK1 kinase function, and in the treatment of diseases and conditions that are mediated by CHK1. that are ameliorated by the inhibition of CHK1 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or Il inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionisiπq radiation. wherein: -X= is independently -CRA5= or -N=; and the rest of the substituents are as specified in the claims.

  本发明一般涉及治疗化合物领域，更具体地涉及某些联苯胺化合物（在此称为BAA化合物），特别是某些式（I）的吡啶-2-基-吡啶-2-基-胺和吡嗪-2-基-吡啶-4-基-胺化合物，该化合物等抑制检查点激酶1（CHK1）激酶功能。本发明还涉及包含这种化合物的药物组合物，以及利用这种化合物和组合物在体外和体内抑制CHK1激酶功能，并治疗由CHK1介导的疾病和症状，通过抑制CHK1激酶功能而得到缓解的疾病和症状，包括增生性疾病如癌症等，可选择与另一药剂结合，例如，（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向剂；和（e）电离辐射。其中：-X=独立为-CRA5=或-N=；其余取代基如索引中所述。
• Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use
  申请人：Cancer Research Technology Limited

  公开号：US08058045B2

  公开（公告）日：2011-11-15

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain biarylamine compounds (referred to herein as BAA compounds), and especially certain pyrazin-2-yl-pyridin-2-yl-amine and pyrazine-2-yl-pyrimidin-4-yl-amine compounds of formula (I), which, inter alia, inhibit Checkpoint Kinase 1 (CHK1) kinase function. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit CHK1 kinase function, and in the treatment of diseases and conditions that are mediated by CHK1, that are ameliorated by the inhibition of CHK1 kinase function, etc., including proliferative conditions such as cancer, etc., optionally in combination with another agent, for example, (a) a DNA topoisomerase I or II inhibitor; (b) a DNA damaging agent; (c) an antimetabolite or TS inhibitor; (d) a microtubule targeted agent; and (e) ionisiπq radiation, wherein: —X═ is independently —CRA5═ or —N═; and the rest of the substituents are as specified in the claims.

  本发明涉及治疗化合物领域，更具体地涉及某些双芳基胺化合物（以下简称BAA化合物），特别是公式（I）中的某些吡嗪-2-基吡啶-2-基胺和吡嗪-2-基嘧啶-4-基胺化合物，其中，除其他作用外，抑制检查点激酶1（CHK1）的激酶功能。本发明还涉及包含这些化合物的制药组合物，并且在体内外使用这些化合物和组合物来抑制CHK1激酶功能，并治疗由CHK1介导的疾病和病况，这些病况通过抑制CHK1激酶功能得到改善等，包括增殖性疾病如癌症等，可选地与另一种制剂联合使用，例如（a）DNA拓扑异构酶I或II抑制剂；（b）DNA损伤剂；（c）抗代谢物或TS抑制剂；（d）微管靶向剂；和（e）电离辐射，其中：—X═独立地为—CRA5═或—N═；其余取代基如权利要求中所述。