9-[o-(2-hydroxyethyl)phenyl]-6-chloropurine | 469887-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 9-[o-(2-hydroxyethyl)phenyl]-6-chloropurine
• 英文别名: 2-[2-(6-Chloropurin-9-yl)phenyl]ethanol；2-[2-(6-chloropurin-9-yl)phenyl]ethanol
• CAS: 469887-22-7
• 化学式: C₁₃H₁₁ClN₄O
• 分子量: 274.71
• InChiKey: QBDWCCXZUXNGFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  9-[o-(2-hydroxyethyl)phenyl]-6-chloropurine 在 氨 作用下， 以 甲醇 为溶剂， 生成 9-[o-(2-hydroxyethyl)phenyl]adenine
  参考文献：
  名称：

  9-[(Hydroxymethyl)phenyl]adenines: new aryladenine substrates of adenosine deaminase

  摘要：

  New phenyl adenine compounds 5-7 were synthesized as analogues of adenosine and studied for their adenosine deaminase (ADA) substrate activity. The 9-[(o-hydroxymethyl)phenyl]methyl]adenine 5 and 9-[(m-hydroxymethyl)phenyl]adenine 7 were deaminated by ADA, and 9-[(o-hydroxyethyl)phenyl]adenine 6 was not deaminated up to 7 days. The ADA substrates 5 and 7 were deaminated quantitatively to their inosine analogues in 10 and 6 h, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00192-0
• 作为产物：
  描述：

  2-氨基苯乙醇 在 sodium thiosulfate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 9-[o-(2-hydroxyethyl)phenyl]-6-chloropurine
  参考文献：
  名称：

  9-[(Hydroxymethyl)phenyl]adenines: new aryladenine substrates of adenosine deaminase

  摘要：

  New phenyl adenine compounds 5-7 were synthesized as analogues of adenosine and studied for their adenosine deaminase (ADA) substrate activity. The 9-[(o-hydroxymethyl)phenyl]methyl]adenine 5 and 9-[(m-hydroxymethyl)phenyl]adenine 7 were deaminated by ADA, and 9-[(o-hydroxyethyl)phenyl]adenine 6 was not deaminated up to 7 days. The ADA substrates 5 and 7 were deaminated quantitatively to their inosine analogues in 10 and 6 h, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00192-0