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

文献信息

• Bone-Targeted 2,6,9-Trisubstituted purines: novel inhibitors of Src tyrosine kinase for the treatment of bone diseases
  作者：Yihan Wang、Chester A. Metcalf、William C. Shakespeare、Raji Sundaramoorthi、Terence P. Keenan、Regine S. Bohacek、Marie Rose van Schravendijk、Shiela M. Violette、Surinder S. Narula、David C. Dalgarno、Chad Haraldson、Jeffrey Keats、Shuenn Liou、Ukti Mani、Selvi Pradeepan、Mary Ram、Susan Adams、Manfred Weigele、Tomi K. Sawyer

  DOI：10.1016/s0960-894x(03)00648-6

  日期：2003.9

  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.