tert-butyl(5-bromo-3-(3-(4-(((tert-butoxycarbonyl)(methyl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl )(tert-butoxycarbonyl)carbamate | 1402390-42-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: tert-butyl(5-bromo-3-(3-(4-(((tert-butoxycarbonyl)(methyl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl )(tert-butoxycarbonyl)carbamate
• 英文别名: Tert-butyl (5-bromo-3-(3-(4-(((tert-butoxycarbonyl)(methyl)amino) methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl)(tert-butoxycarbonyl)carbamate；tert-butyl N-[[4-[5-[3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-bromopyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]-N-methylcarbamate
• CAS: 1402390-42-4
• 化学式: C₃₀H₃₈BrN₅O₇
• 分子量: 660.565
• InChiKey: YDWZJQANJXHGMT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl(5-bromo-3-(3-(4-(((tert-butoxycarbonyl)(methyl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl )(tert-butoxycarbonyl)carbamate 在 [1,1'-二(二叔丁基膦)二茂铁]合二氯钯(II) 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 3.0h， 生成 5-(4-(tert-butylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine
  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：

  5-溴-3-((三甲基硅基)乙炔)吡嗪-2-胺 在 4-二甲氨基吡啶 、 potassium phosphate 、 二(三叔丁基膦)钯 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 19.0h， 生成 tert-butyl(5-bromo-3-(3-(4-(((tert-butoxycarbonyl)(methyl)amino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-yl )(tert-butoxycarbonyl)carbamate
  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

• 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。
• Processes for making compounds useful as inhibitors of ATR kinase
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US09035053B2

  公开（公告）日：2015-05-19

  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、疾病和病症的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及本发明化合物的固体形式。本发明化合物具有公式I或II：其中变量如本文所定义。
• 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。
• PROCESS FOR MAKING COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3878851A1

  公开（公告）日：2021-09-15

  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.

  本发明涉及制备可用作 ATR 激酶抑制剂的化合物（如氨基吡嗪-异噁唑衍生物和相关分子）的工艺和中间体。本发明还涉及可用作 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、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；以及本发明化合物的固体形式。 本发明的化合物具有式 I 或式 II： 其中变量如本文所定义。