[5-Bromo-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-(oxan-4-yl)amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-(2,4,4-trimethylpentan-2-yloxycarbonyl)carbamic acid

• 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: [5-Bromo-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-(oxan-4-yl)amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-(2,4,4-trimethylpentan-2-yloxycarbonyl)carbamic acid
• 英文别名: [5-bromo-3-[3-[4-[[(2-methylpropan-2-yl)oxycarbonyl-(oxan-4-yl)amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-(2,4,4-trimethylpentan-2-yloxycarbonyl)carbamic acid
• 化学式: C₃₄H₄₄BrN₅O₈
• 分子量: 730.6
• InChiKey: AMKKBZZPHWXNJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  157
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• 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。
• US8846686B2
  申请人：——

  公开号：US8846686B2

  公开（公告）日：2014-09-30
• US9862709B2
  申请人：——

  公开号：US9862709B2

  公开（公告）日：2018-01-09