9-苄基-N-(4-丁氧基苯基)-2-氯嘌呤-6-胺 | 125827-87-4

• 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: 9-苄基-N-(4-丁氧基苯基)-2-氯嘌呤-6-胺
• 英文名称: 9-benzyl-6-(4-butoxyanilino)-2-chloro-9H-purine
• 英文别名: 9H-Purin-6-amine, N-(4-butoxyphenyl)-2-chloro-9-(phenylmethyl)-；9-benzyl-N-(4-butoxyphenyl)-2-chloropurin-6-amine
• CAS: 125827-87-4
• 化学式: C₂₂H₂₂ClN₅O
• 分子量: 407.903
• InChiKey: FSCRDKFVTWQAHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-丁氧基苯胺 、 9-苄基-2,6-二氯-9h-嘌呤 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以70%的产率得到9-苄基-N-(4-丁氧基苯基)-2-氯嘌呤-6-胺
  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.