2,6-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,6-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine
• 英文别名: 2,4-dichloro-6-(4-fluorophenylamino)pyrimidine；(2,6-Dichloropyrimidin-4-yl)(4-fluorophenyl)-amine
• 化学式: C₁₀H₆Cl₂FN₃
• 分子量: 258.082
• InChiKey: AABXVWPNHDIYJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 N,N-二异丙基乙胺 、 lithium hexamethyldisilazane 、 2-(二环己基膦基)联苯 作用下， 以 四氢呋喃 、 正丁醇 为溶剂， 反应 26.0h， 生成 tert-butyl 4-(4-amino-6-((4-fluorophenyl)amino)pyrimidin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] HEPATITIS B VIRAL ASSEMBLY EFFECTORS
  [FR] EFFECTEURS D'ASSEMBLAGE DE VIRUS DE L'HÉPATITE B

  摘要：

  揭示了一种对乙型肝炎病毒（HBV）感染具有治疗效果的新型组装效应子化合物。本文描述的组装效应子分子可以导致病毒组装缺陷，也可能影响与慢性HBV感染相关的其他病毒活动。还公开了一种合成所述化合物的方法，通过给予所述化合物治疗HBV的方法，以及利用这些化合物制造针对HBV的药物的用途。

  公开号：

  WO2016168619A1
• 作为产物：
  描述：

  2,4,6-三氯嘧啶 、 4-氟苯胺 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以84%的产率得到2,6-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine
  参考文献：
  名称：

  2,4,6-三氯嘧啶。与苯胺反应

  摘要：

  已经研究了2,4,6-三氯嘧啶1与各种4-取代的苯胺2的反应。除含有强吸电子基团的苯胺外，所有苯胺都容易发生单取代。异构体产物3和4的产率平行于环取代基的哈米特常数。当使用乙醇作为溶剂时的主要产物是4-取代的2，6-二氯嘧啶3。光谱和X射线数据证实了这种归属。但是，证明了溶剂对3：4比例的依赖性。在某些情况下，在强迫条件下过量的苯胺会生成2,4-二取代的产物。

  DOI：

  10.1002/jhet.5570370609

文献信息

• Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors
  申请人：Bosch Michael

  公开号：US20080269170A1

  公开（公告）日：2008-10-30

  The disclosure relates to compounds of formula (I): wherein R1-R5, A and Y are as defined in the disclosure, to compositions comprising said compounds, and to processes for making and methods of using the same.

  该披露涉及到式(I)的化合物：其中R1-R5、A和Y如披露中所定义，以及包含该化合物的组合物，以及制备该化合物的方法和使用该化合物的方法。
• Hepatitis B viral assembly effectors
  申请人：Indiana University Research and Technology Corporation

  公开号：US10273228B2

  公开（公告）日：2019-04-30

  Novel assembly effector compounds having a therapeutic effect against hepatitis B viral (HBV) infection are disclosed. Assembly effector molecules described herein can lead to defective viral assembly and also may affect other viral activities associated with chronic HBV infection. Also disclosed is a process to synthesize disclosed compounds, method of treatment of HBV by administration of disclosed compounds, and use of these compounds in the manufacture of medicaments against HBV.

  本研究公开了对乙型肝炎病毒（HBV）感染有治疗作用的新型组装效应化合物。本文所述的组装效应分子可导致病毒组装缺陷，还可影响与慢性 HBV 感染相关的其他病毒活动。还公开了合成所公开化合物的工艺、通过服用所公开化合物治疗 HBV 的方法，以及这些化合物在制造抗 HBV 药物中的用途。
• HEPATITIS B VIRAL ASSEMBLY EFFECTORS
  申请人：Indiana University Research & Technology Corporation

  公开号：EP3283472A1

  公开（公告）日：2018-02-21
• Serendipitous Identification of Azine Anticancer Agents Using a Privileged Scaffold Morphing Strategy
  作者：Silvia Cesarini、Ilaria Vicenti、Federica Poggialini、Silvia Filippi、Eleonora Mancin、Lia Fiaschi、Elisa De Marchi、Federica Giammarino、Chiara Vagaggini、Bruno Mattia Bizzarri、Raffaele Saladino、Elena Dreassi、Maurizio Zazzi、Lorenzo Botta

  DOI：10.3390/molecules29071452

  日期：——

  The use of privileged scaffolds as a starting point for the construction of libraries of bioactive compounds is a widely used strategy in drug discovery and development. Scaffold decoration, morphing and hopping are additional techniques that enable the modification of the chosen privileged framework and better explore the chemical space around it. In this study, two series of highly functionalized pyrimidine and pyridine derivatives were synthesized using a scaffold morphing approach consisting of triazine compounds obtained previously as antiviral agents. Newly synthesized azines were evaluated against lymphoma, hepatocarcinoma, and colon epithelial carcinoma cells, showing in five cases acceptable to good anticancer activity associated with low cytotoxicity on healthy fibroblasts. Finally, ADME in vitro studies were conducted on the best derivatives of the two series showing good passive permeability and resistance to metabolic degradation.
• [EN] HEPATITIS B VIRAL ASSEMBLY EFFECTORS<br/>[FR] EFFECTEURS D'ASSEMBLAGE DE VIRUS DE L'HÉPATITE B
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2016168619A1

  公开（公告）日：2016-10-20

  Novel assembly effector compounds having a therapeutic effect against hepatitis B viral (HBV) infection are disclosed. Assembly effector molecules described herein can lead to defective viral assembly and also may affect other viral activities associated with chronic HBV infection. Also disclosed is a process to synthesize disclosed compounds, method of treatment of HBV by administration of disclosed compounds, and use of these compounds in the manufacture of medicaments against HBV.

  揭示了一种对乙型肝炎病毒（HBV）感染具有治疗效果的新型组装效应子化合物。本文描述的组装效应子分子可以导致病毒组装缺陷，也可能影响与慢性HBV感染相关的其他病毒活动。还公开了一种合成所述化合物的方法，通过给予所述化合物治疗HBV的方法，以及利用这些化合物制造针对HBV的药物的用途。