2-{4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3,5-dimethylbenzylidene}succinonitrile

• 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-{4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3,5-dimethylbenzylidene}succinonitrile
• 英文别名: 2-[[4-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylphenyl]methylidene]butanedinitrile
• 化学式: C₂₄H₁₉N₇
• 分子量: 405.462
• InChiKey: IZULHEXYBIGHBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  121.21
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4-(4-(4-(羟基甲基)-2,6-二甲基苯基氨基)嘧啶-2-基氨基)苯甲腈 在 manganese(IV) oxide 、 三丁基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 2-{4-[2-(4-cyanophenylamino)pyrimidin-4-ylamino]-3,5-dimethylbenzylidene}succinonitrile
  参考文献：
  名称：

  Synthesis of Novel Diarylpyrimidine Analogues and Their Antiviral Activity against Human Immunodeficiency Virus Type 1

  摘要：

  This paper reports the synthesis and the antiviral properties of new diarylpyrimidine (DAPY) compounds as nonnucleoside reverse transcriptase inhibitors (NNRTIs). The synthesis program around this new DAPY series was further optimized to produce compounds displaying improved activity against a panel of eight clinically relevant single and double mutant strains of human immunodeficiency virus type 1 (HIV-1).

  DOI：

  10.1021/jm040838n

文献信息

• Synthesis of Novel Diarylpyrimidine Analogues and Their Antiviral Activity against Human Immunodeficiency Virus Type 1
  作者：Jerome Guillemont、Elisabeth Pasquier、Patrice Palandjian、Daniel Vernier、Sandrine Gaurrand、Paul J. Lewi、Jan Heeres、Marc R. de Jonge、Lucien M. H. Koymans、Frits F. D. Daeyaert、Maarten H. Vinkers、Eddy Arnold、Kalyan Das、Rudi Pauwels、Koen Andries、Marie-Pierre de Béthune、Eva Bettens、Kurt Hertogs、Piet Wigerinck、Philip Timmerman、Paul A. J. Janssen

  DOI：10.1021/jm040838n

  日期：2005.3.1

  This paper reports the synthesis and the antiviral properties of new diarylpyrimidine (DAPY) compounds as nonnucleoside reverse transcriptase inhibitors (NNRTIs). The synthesis program around this new DAPY series was further optimized to produce compounds displaying improved activity against a panel of eight clinically relevant single and double mutant strains of human immunodeficiency virus type 1 (HIV-1).