6-苯胺-9-苄基-2-氯-9H-嘌呤 | 125802-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 6-苯胺-9-苄基-2-氯-9H-嘌呤
• 英文名称: 6-anilino-2-chloro-9-(4-methylbenzyl)-9H-purine
• 英文别名: 2-chloro-9-[(4-methylphenyl)methyl]-N-phenyl-purin-6-amine；2-chloro-9-[(4-methylphenyl)methyl]-N-phenylpurin-6-amine
• CAS: 125802-42-8
• 化学式: C₁₉H₁₆ClN₅
• 分子量: 349.823
• InChiKey: OYEKUVZUFASBGC-UHFFFAOYSA-N

物化性质

• 沸点：
  551.4±60.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,6-dichloro-9-(4-methylphenylmethyl)-9H-purine 、 苯胺 以 乙醇 、 水 为溶剂， 反应 1.5h， 以57%的产率得到6-苯胺-9-苄基-2-氯-9H-嘌呤
  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.