2-fluoro-6-chloro-9-cyclopentylpurine | 613688-57-6

• 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: 2-fluoro-6-chloro-9-cyclopentylpurine
• 英文别名: 6-Chloro-9-cyclopentyl-2-fluoropurine
• CAS: 613688-57-6
• 化学式: C₁₀H₁₀ClFN₄
• 分子量: 240.668
• InChiKey: ISYNYNYFVRCDCR-UHFFFAOYSA-N

物化性质

• 沸点：
  447.9±55.0 °C(Predicted)
• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-fluoro-6-chloro-9-cyclopentylpurine 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 9-cyclopentyl-2-N-[2-(dimethylamino)ethyl]-6-N-phenylpurine-2,6-diamine
  参考文献：
  名称：

  Bone-Targeted 2,6,9-Trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases

  摘要：

  Novel bone-targeted 2,6,9-trisubstituted purine template-based inhibitors of Src tyrosine kinase are described. Drug design studies of known purine compounds revealed that both positions-2 and -6 were suitable for incorporating bone-seeking moieties. A variety of bone-targeting groups with different affinity to hydroxyapatite were utilized in the study. Compound 3d was determined to be a potent Src inhibitor and was quite selective against a panel of other protein kinases. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00648-6
• 作为产物：
  描述：

  环戊醇 、 2-氟-6-氯嘌呤 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 生成 2-fluoro-6-chloro-9-cyclopentylpurine
  参考文献：
  名称：

  Bone-Targeted 2,6,9-Trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases

  摘要：

  Novel bone-targeted 2,6,9-trisubstituted purine template-based inhibitors of Src tyrosine kinase are described. Drug design studies of known purine compounds revealed that both positions-2 and -6 were suitable for incorporating bone-seeking moieties. A variety of bone-targeting groups with different affinity to hydroxyapatite were utilized in the study. Compound 3d was determined to be a potent Src inhibitor and was quite selective against a panel of other protein kinases. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00648-6