4-(9-Benzyl-2-chloro-9H-purin-6-ylamino)-benzonitrile | 125802-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 4-(9-Benzyl-2-chloro-9H-purin-6-ylamino)-benzonitrile
• 英文别名: Benzonitrile, 4-((2-chloro-9-(phenylmethyl)-9H-purin-6-yl)amino)-；4-[(9-benzyl-2-chloropurin-6-yl)amino]benzonitrile
• CAS: 125802-53-1
• 化学式: C₁₉H₁₃ClN₆
• 分子量: 360.805
• InChiKey: NVQXKMMKLNDXDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  p-cyanoaniline hydrochloride 、 9-苄基-2,6-二氯-9h-嘌呤 在 2,4,6-三甲基吡啶 作用下， 以 乙醇 、 水 为溶剂， 反应 5.0h， 以44%的产率得到4-(9-Benzyl-2-chloro-9H-purin-6-ylamino)-benzonitrile
  参考文献：
  名称：

  Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines

  摘要：

  A series of 6-anilino-9-benzyl-2-chloropurines was synthesized and tested for antirhinovirus activity. Most of the compounds were prepared by reaction of the appropriate aniline with 9-benzyl-2,6-dichloro-9H-purine. Structure-activity relationship studies revealed that compounds with small, lipophilic para substituents were good inhibitors of serotype 1B. Several compounds had good activity against four representative serotypes.

  DOI：

  10.1021/jm00167a012

文献信息

• Antirhinovirus activity of 6-anilino-9-benzyl-2-chloro-9H-purines
  作者：James L. Kelley、James A. Linn、J. W. T. Selway

  DOI：10.1021/jm00167a012

  日期：1990.5

  A series of 6-anilino-9-benzyl-2-chloropurines was synthesized and tested for antirhinovirus activity. Most of the compounds were prepared by reaction of the appropriate aniline with 9-benzyl-2,6-dichloro-9H-purine. Structure-activity relationship studies revealed that compounds with small, lipophilic para substituents were good inhibitors of serotype 1B. Several compounds had good activity against four representative serotypes.