2,5-dichloro-4-(4-fluorophenyl)pyrimidine | 1341200-89-2

• 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: 2,5-dichloro-4-(4-fluorophenyl)pyrimidine
• CAS: 1341200-89-2
• 化学式: C₁₀H₅Cl₂FN₂
• 分子量: 243.068
• InChiKey: FYRORHXGYAMTMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  372.9±27.0 °C(Predicted)
• 密度：
  1.435±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,5-dichloro-4-(4-fluorophenyl)pyrimidine 在 氯磺酸 作用下， 反应 4.0h， 以76%的产率得到2-(2,5-dichloropyrimidin-4-yl)-5-fluorobenzene-1-sulfonyl chloride
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of a Series of Novel AXL Kinase Inhibitors

  摘要：

  The receptor tyrosine kinase AXL has emerged in recent years as an potential oncology target due to its overexpression in several types of cancers coupled with its ability to promote tumor growth and metastasis. To identify small molecule inhibitors of AXL, we built a homology model of its catalytic domain to virtually screen and identify scaffolds displaying an affinity for AXL. Further computational and structure-based design resulted in the synthesis of a series of 2,4,5-trisubstitued pyrimidines, which demonstrated potent inhibition of AXL in vitro (IC(50) = 19 nM) and strongly inhibited the growth of several pancreatic cell lines.

  DOI：

  10.1021/ml200198x
• 作为产物：
  描述：

  2,4,5-三氯嘧啶 、 4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)氟苯 在 palladium diacetate 、 sodium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 2,5-dichloro-4-(4-fluorophenyl)pyrimidine
  参考文献：
  名称：

  INHIBITORS AND DEGRADERS OF PIP4K PROTEIN

  摘要：

  Provided are compounds and compositions which modulate the level or activity of PIP4K2C. Also provided are methods for treating diseases or conditions by modulating (e.g., reducing) the level or activity of a PIP4K2C, comprising administering the compounds and compositions.

  公开号：

  WO2024107746A1