2-chloro-5-fluoro-4-hydrazineylpyrimidine | 1314936-62-3

• 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: 2-chloro-5-fluoro-4-hydrazineylpyrimidine
• 英文别名: 2-Chloro-5-fluoro-4-hydrazinylpyrimidine；(2-chloro-5-fluoropyrimidin-4-yl)hydrazine
• CAS: 1314936-62-3
• 化学式: C₄H₄ClFN₄
• mdl: MFCD16876982
• 分子量: 162.554
• InChiKey: IMVXJKCVBDUKOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  236.6±50.0 °C(Predicted)
• 密度：
  1.77±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1R,2S,3S,4S)-3-(ethoxycarbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid 、 2-chloro-5-fluoro-4-hydrazineylpyrimidine 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以51%的产率得到
  参考文献：
  名称：

  Novel influenza polymerase PB2 inhibitors for the treatment of influenza A infection

  摘要：

  Exploration of the chemical space of known influenza polymerase PB2 inhibitor Pimodivir, was performed by our group. We synthesized and identified compounds 16a and 16b, two novel thienopyrimidine derivatives displaying anti-influenza A activity in the single digit nanomolar range in cell culture. Binding of these unique compounds in the influenza polymerase PB2 pocket was also determined using molecular modeling.

  DOI：

  10.1016/j.bmcl.2019.126639
• 作为产物：
  描述：

  2,4-二氯-5-氟嘧啶 在 肼 作用下， 以 乙醇 为溶剂， 以68%的产率得到2-chloro-5-fluoro-4-hydrazineylpyrimidine
  参考文献：
  名称：

  Novel influenza polymerase PB2 inhibitors for the treatment of influenza A infection

  摘要：

  Exploration of the chemical space of known influenza polymerase PB2 inhibitor Pimodivir, was performed by our group. We synthesized and identified compounds 16a and 16b, two novel thienopyrimidine derivatives displaying anti-influenza A activity in the single digit nanomolar range in cell culture. Binding of these unique compounds in the influenza polymerase PB2 pocket was also determined using molecular modeling.

  DOI：

  10.1016/j.bmcl.2019.126639