tert-butylN-[(1,4-oxazepan-6-yl)methyl]carbamate | 1440961-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: tert-butylN-[(1,4-oxazepan-6-yl)methyl]carbamate
• 英文别名: tert-butyl N-(1,4-oxazepan-6-ylmethyl)carbamate
• CAS: 1440961-33-0
• 化学式: C₁₁H₂₂N₂O₃
• 分子量: 230.3
• InChiKey: GRBABAVJMWOKNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  59.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butylN-[(1,4-oxazepan-6-yl)methyl]carbamate 在 caesium carbonate 、 mesylate[(di(1-adamantyl)-n-butylphosphine)-2-(2’-amino-1,1’-biphenyl)]palladium(II) 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 水 、 二甲基亚砜 为溶剂， 反应 18.0h， 生成 ethyl 4-(8-(4-(6-(((tert-butoxycarbonyl)amino)methyl)-1,4-oxazepan-4-yl)-8-fluoro-2-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)pyrido[4,3-d]pyrimidin-7-yl)-2-fluoro-6-(methoxymethoxy)naphthalen-1-yl)butanoate
  参考文献：
  名称：

  PYRIDOPYRIMIDINE KRAS INHIBITORS

  摘要：

  This disclosure provides compounds of Formula (A) (e.g., Formula (I) (e.g., Formula (I-a), (I-aa), (I-b), (I-bb), (I-c), (I-cc), (I-d), (I-dd), (I-e), (I-ee), (I-f), (I-g), or (I-h)), Formula (II) (e.g., (II-c), (II-cc), (II-d), (II-dd), (II-e), (II-ee), (II-f), (II-g), or (II-h)), or Formula (Aa)), or pharmaceutically acceptable salts thereof, that inhibit a KRas protein. In some embodiments, the KRas protein has a dysregulation (e.g., the KRas protein is mutated or amplified). These compounds are useful, for example, for treating a disease, disorder, or condition in which increased and/or sustained (e.g., excessive) KRas activation, for example, KRas activation associated with a mutant KRas protein, contributes to the pathology and/or symptoms and/or progression of the disease, disorder, or condition (e.g., cancer) in a subject (e.g., a human). This disclosure also provides compositions containing the compounds provided herein, or pharmaceutically acceptable salts thereof, as well as methods of using and making the same.

  公开号：

  WO2024040131A1