ethyl 2-hydroxy-4-oxo-4H-pyrazino[ 1,2-a]pyrimidine-3-carboxylate | 1092301-36-4

• 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: ethyl 2-hydroxy-4-oxo-4H-pyrazino[ 1,2-a]pyrimidine-3-carboxylate
• 英文别名: ethyl 2-hydroxy-4-oxo-4-pyrazino[1,2-a]-pyrimidine-3-carboxylate；Ethyl 2-hydroxy-4-oxo-4h-pyrazino[1,2-a]pyrimidine-3-carboxylate；ethyl 2-hydroxy-4-oxopyrazino[1,2-a]pyrimidine-3-carboxylate
• CAS: 1092301-36-4
• 化学式: C₁₀H₉N₃O₄
• 分子量: 235.199
• InChiKey: KOPNYPIGAXYVCA-UHFFFAOYSA-N

物化性质

• 沸点：
  384.5±52.0 °C(Predicted)
• 密度：
  1.52±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  91.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-hydroxy-4-oxo-4H-pyrazino[ 1,2-a]pyrimidine-3-carboxylate 、 N,O-bis(trimethylsilyl)trifluoroacetamide 生成
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 143. Synthesis, structure, and spectroscopic characteristics of ethyl 2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxylate

  摘要：

  Condensation of aminopyrazine with triethyl methanetricarboxylate gave ethyl 2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxylate. According to X-ray analytical data the compound exists in the 2-hydroxy-4-oxo form in the crystal.

  DOI：

  10.1007/s10593-008-0047-z
• 作为产物：
  描述：

  氨基吡嗪 、 甲烷三羧酸三乙酯 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 1.5h， 以83%的产率得到ethyl 2-hydroxy-4-oxo-4H-pyrazino[ 1,2-a]pyrimidine-3-carboxylate
  参考文献：
  名称：

  4-Hydroxy-2-quinolones 143. Synthesis, structure, and spectroscopic characteristics of ethyl 2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxylate

  摘要：

  Condensation of aminopyrazine with triethyl methanetricarboxylate gave ethyl 2-hydroxy-4-oxo-4H-pyrazino[1,2-a]pyrimidine-3-carboxylate. According to X-ray analytical data the compound exists in the 2-hydroxy-4-oxo form in the crystal.

  DOI：

  10.1007/s10593-008-0047-z

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR L'INHIBITION DE L'ACTIVITÉ DE SHP2
  申请人：NOVARTIS AG

  公开号：WO2017216706A1

  公开（公告）日：2017-12-21

  The present invention relates to compounds of formula I: in which Y1, Y2, R1, R2 and R3 are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及以下式I的化合物：其中Y1、Y2、R1、R2和R3在发明摘要中有定义；能够抑制SHP2活性。该发明还提供了一种制备该类化合物的方法，包括含有这类化合物的药物制剂以及在管理与SHP2异常活性相关的疾病或疾病的方法中使用这类化合物和组合物。
• Compounds and compositions for inhibiting the activity of SHP2
  申请人：Novartis AG

  公开号：US10934285B2

  公开（公告）日：2021-03-02

  The present invention relates to compounds of formula I: in which Y1, Y2, R1, R2 and R3 are defined in the Summary of the Invention; capable of inhibiting the activity of SHP2. The invention further provides a process for the preparation of compounds of the invention, pharmaceutical preparations comprising such compounds and methods of using such compounds and compositions in the management of diseases or disorders associated with the aberrant activity of SHP2.

  本发明涉及式 I 的化合物：其中 Y1、Y2、R1、R2 和 R3 在发明概述中定义；能够抑制 SHP2 的活性。本发明进一步提供了制备本发明化合物的工艺、包含此类化合物的药物制剂以及使用此类化合物和组合物治疗与 SHP2 活性异常有关的疾病或紊乱的方法。
• COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2
  申请人：NOVARTIS AG

  公开号：EP3468972B1

  公开（公告）日：2020-05-20