2-(4-(5-amino-6-(3-(4-(((tetrahydro-2H-pyran-4-yl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)pyridin-2-yl)-2-methylpropanenitrile | 1402389-48-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-(5-amino-6-(3-(4-(((tetrahydro-2H-pyran-4-yl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)pyridin-2-yl)-2-methylpropanenitrile
• 英文别名: 2-[4-[5-Amino-6-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]pyridin-2-yl]-2-methylpropanenitrile
• CAS: 1402389-48-3
• 化学式: C₂₈H₂₉N₇O₂
• 分子量: 495.584
• InChiKey: LJWNVOSPWFPCIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  136
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(4-(5-amino-6-(3-(4-(((tetrahydro-2H-pyran-4-yl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)pyridin-2-yl)-2-methylpropanenitrile 在 盐酸 作用下， 以 水 、 乙腈 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  [EN] PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  [FR] PROCÉDÉS POUR LA FABRICATION DE COMPOSÉS UTILES EN TANT QU'INHIBITEURS D'ATR KINASE

  摘要：

  公开号：

  WO2013049726A3
• 作为产物：
  描述：

  tert-butyl N-tert-butoxycarbonyl-N-[3-ethynyl-5-(4-isopropylsulfonylphenyl)pyrazin-2-yl]carbamate 在 二(三叔丁基膦)钯 、 sodium carbonate 、 potassium carbonate 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 乙腈 为溶剂， 反应 6.5h， 生成 2-(4-(5-amino-6-(3-(4-(((tetrahydro-2H-pyran-4-yl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)pyridin-2-yl)-2-methylpropanenitrile
  参考文献：
  名称：

  [EN] PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  [FR] PROCÉDÉS POUR LA FABRICATION DE COMPOSÉS UTILES EN TANT QU'INHIBITEURS D'ATR KINASE

  摘要：

  公开号：

  WO2013049726A3

文献信息

• [EN] AMINOPYRAZINE COMPOUNDS USEFUL AS INHIBITORS OF TRA KINASE<br/>[FR] COMPOSÉS AMINOPYRAZINES UTILES EN TANT QU'INHIBITEURS DE LA KINASE ATR
  申请人：VERTEX PHARMA

  公开号：WO2012138938A1

  公开（公告）日：2012-10-11

  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 have formula (I): 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可接受的组合物；使用本发明的化合物治疗各种疾病、障碍和症状的方法；制备本发明的化合物的方法；用于制备本发明的化合物的中间体；以及使用这些化合物进行体外应用的方法，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转导途径的研究以及对新激酶抑制剂的比较评估。本发明的化合物具有以下式（I）的结构：其中变量如本文所定义。
• Processes for Making Compounds Useful as Inhibitors of ATR Kinase
  申请人：Charrier Jean-Damien

  公开号：US20130184292A1

  公开（公告）日：2013-07-18

  The present invention relates to processes and intermediates for preparing compounds useful as inhibitors of ATR kinase, such as aminopyrazine-isoxazole derivatives and related molecules. The present invention also relates to compounds useful as inhibitors of ATR protein kinase. The invention 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 solid forms of the compounds of this invention. The compounds of this invention have formula I or II: wherein the variables are as defined herein.

  本发明涉及用于制备ATR激酶抑制剂的过程和中间体，例如氨基吡唑-异恶唑衍生物和相关分子。本发明还涉及用于抑制ATR蛋白激酶的化合物。本发明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、障碍和病况的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及本发明化合物的固态形式。本发明化合物具有公式I或II：其中变量如本文所定义。
• COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Charrier Jean-Damien

  公开号：US20130095193A1

  公开（公告）日：2013-04-18

  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 formula I: wherein the variables are as defined herein.

  本发明涉及一种有用的ATR蛋白激酶抑制剂化合物。本发明还涉及包含该发明化合物的药学上可接受的组合物；使用该发明化合物治疗各种疾病、疾患和病况的方法；制备该发明化合物的过程；用于制备该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，以及新的激酶抑制剂的比较评估。该发明化合物的化学式为I，其中变量如本文所定义。
• PROCESSES FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150274710A1

  公开（公告）日：2015-10-01

  The present invention relates to processes and intermediates for preparing compounds useful as inhibitors of ATR kinase, such as aminopyrazine-isoxazole derivatives and related molecules. The present invention also relates to compounds useful as inhibitors of ATR protein kinase. The invention 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 solid forms of the compounds of this invention. The compounds of this invention have formula I or II: wherein the variables are as defined herein.

  本发明涉及用作ATR激酶抑制剂的化合物的制备过程和中间体，例如氨基吡唑-异噁唑衍生物和相关分子。本发明还涉及用作ATR蛋白激酶抑制剂的化合物。本发明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，紊乱和状况的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及本发明化合物的固态形式。本发明化合物具有I或II式：其中变量如本文所定义。
• DEUTERATED DERIVATIVES OF AN INHIBITOR OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3608316A1

  公开（公告）日：2020-02-12

  The present application relates to compounds of formula II which are deuterated derivatives of a known compound belonging to a class of ATR kinase inhibitors of formula I.

  本申请涉及式 II 的化合物，它们是属于式 I 的一类 ATR 激酶抑制剂的已知化合物的氚化衍生物。