(1-(3-bromo-5-fluoropyridin-4-yl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone | 1613192-97-4

• 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: (1-(3-bromo-5-fluoropyridin-4-yl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone
• 英文别名: (1-(3-Bromo-5-fluoropyridin-4-yl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone；[1-(3-bromo-5-fluoropyridin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
• CAS: 1613192-97-4
• 化学式: C₁₆H₂₂BrFN₄O
• 分子量: 385.279
• InChiKey: SWGQBHFYMNXZRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  39.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1-(3-bromo-5-fluoropyridin-4-yl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone 在 二苯甲酮亚胺 、 tris-(dibenzylideneacetone)dipalladium(0) 、 氨基甲酸叔丁酯 、 caesium carbonate 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-cyano-N-(5-fluoro-4-(4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl)pyridin-3-yl)acetamide
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  [FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS D'ATR KINASE

  摘要：

  公开号：

  WO2014089379A9
• 作为产物：
  描述：

  5-溴-3-氟吡啶 在 正丁基锂 、 potassium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 正己烷 为溶剂， 反应 2.17h， 生成 (1-(3-bromo-5-fluoropyridin-4-yl)piperidin-4-yl)(4-methylpiperazin-1-yl)methanone
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  [FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS D'ATR KINASE

  摘要：

  公开号：

  WO2014089379A9

文献信息

• [EN] FUSED PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE FUSIONNÉS UTILES EN TANT QU'INHIBITEURS DE LA KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2014143240A1

  公开（公告）日：2014-09-18

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have the formula I:Additionally, the compounds of this invention have the formula I-A:or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及作为ATR蛋白激酶抑制剂的化合物。该发明还涉及包括本发明的化合物的药学上可接受的组合物；使用本发明的化合物治疗各种疾病、疾病和症状的方法；制备本发明的化合物的方法；制备本发明的化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶；通过这些激酶介导的细胞内信号传导途径的研究；以及新激酶抑制剂的比较评估。本发明的化合物具有式I的结构：此外，本发明的化合物具有式I-A的结构：或药学上可接受的盐，其中变量如本文所定义。
• [EN] COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE<br/>[FR] COMPOSÉS UTILES EN TANT QU'INHIBITEURS DE LA KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2015084384A1

  公开（公告）日：2015-06-11

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention are represented by formula (I-A) and formula (I-B); or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及作为ATR蛋白激酶抑制剂有用的化合物。该发明还涉及包括本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、疾病和症状的方法；制备本发明化合物的方法；制备本发明化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶；介导这些激酶的细胞内信号传导途径的研究；以及新激酶抑制剂的比较评估。本发明的化合物由式(I-A)和式(I-B)或药学上可接受的盐表示，其中变量如本文所定义。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150158868A1

  公开（公告）日：2015-06-11

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention are represented by formula I-A and formula I-B: or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及作为ATR蛋白激酶抑制剂有用的化合物。该发明还涉及包括本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、疾病和症状的方法；制备本发明化合物的方法；制备本发明化合物的中间体；以及在体外应用中使用化合物的方法，例如在生物和病理现象中研究激酶；介导这些激酶的细胞内信号传导途径的研究；以及新激酶抑制剂的比较评估。本发明的化合物由式I-A和式I-B表示：或药学上可接受的盐，其中变量如本文所定义。
• Compounds useful as inhibitors of ATR kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US08969360B2

  公开（公告）日：2015-03-03

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I: or a pharmaceutically acceptable salt, wherein the variables R1, R2, R3, and R4 are as defined herein.

  本发明涉及用作ATR蛋白激酶抑制剂的化合物。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、障碍和病症的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及在体外应用中使用该化合物的方法，例如研究生物和病理现象中的激酶、介导这些激酶的细胞内信号转导途径的研究以及新激酶抑制剂的比较评估。本发明化合物具有公式I：或其药学上可接受的盐，其中变量R1、R2、R3和R4如本文所定义。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES
  申请人：Vertex Pharmaceuticals Inc.

  公开号：EP3418281A1

  公开（公告）日：2018-12-26

  The present invention relates to compounds useful as inhibitors of ATR protein kinase. The invention also relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and methods of using the compounds in in vitro applications, such as the study of kinases in biological and pathological phenomena; the study of intracellular signal transduction pathways mediated by such kinases; and the comparative evaluation of new kinase inhibitors. The compounds of this invention have formula I: or a pharmaceutically acceptable salt, wherein the variables are as devined herein. Moreover, The compounds of this invention have formula I-A: or a pharmaceutically acceptable salt, wherein the variables are as defined herein.

  本发明涉及可用作 ATR 蛋白激酶抑制剂的化合物。本发明还涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、失调和病症的方法；制备本发明化合物的工艺；制备本发明化合物的中间体；以及在体外应用中使用本发明化合物的方法，例如研究生物和病理现象中的激酶；研究由这些激酶介导的细胞内信号转导途径；以及比较评估新的激酶抑制剂。 本发明的化合物具有式 I： 或药学上可接受的盐，其中变量如本文所设计。 此外，本发明的化合物具有式 I-A： 或药学上可接受的盐，其中变量如本文所定义。