4-[(4-Amino-6-benzyl-1,3,5-triazin-2-yl)amino]benzonitrile

• 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: 4-[(4-Amino-6-benzyl-1,3,5-triazin-2-yl)amino]benzonitrile
• 化学式: C₁₇H₁₄N₆
• 分子量: 302.338
• InChiKey: NNKCLJJSZAUABQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对氨基苯腈 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[(4-Amino-6-benzyl-1,3,5-triazin-2-yl)amino]benzonitrile
  参考文献：
  名称：

  Evolution of Anti-HIV Drug CandidatesPart 2: Diaryltriazine (DATA) Analogues

  摘要：

  A synthesis program directed toward improving the stability of imidoyl thiourea based non-nucleoside reverse transcriptase inhibitors (NNRTIs) led to the discovery of diaryltriazines (DATAs), a new class of potent NNRTIs. The synthesis and anti-HIV structure-activity relationship (SAR) studies of a series of DATA derivatives are described. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00411-5

文献信息

• Evolution of Anti-HIV Drug CandidatesPart 2: Diaryltriazine (DATA) Analogues
  作者：Donald W. Ludovici、Robert W. Kavash、Michael J. Kukla、Chih Y. Ho、Hong Ye、Bart L. De Corte、Koen Andries、Marie-Pierre de Béthune、Hilde Azijn、Rudi Pauwels、Henry E.L. Moereels、Jan Heeres、Lucien M.H. Koymans、Marc R. de Jonge、Koen J.A. Van Aken、Frederik F.D. Daeyaert、Paul J. Lewi、Kalyan Das、Edward Arnold、Paul A.J. Janssen

  DOI：10.1016/s0960-894x(01)00411-5

  日期：2001.9

  A synthesis program directed toward improving the stability of imidoyl thiourea based non-nucleoside reverse transcriptase inhibitors (NNRTIs) led to the discovery of diaryltriazines (DATAs), a new class of potent NNRTIs. The synthesis and anti-HIV structure-activity relationship (SAR) studies of a series of DATA derivatives are described. (C) 2001 Elsevier Science Ltd. All rights reserved.