2-[2-(6-Chloro-5-nitro-pyrimidin-4-ylamino)-phenyl]-ethanol | 469887-18-1

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-[2-(6-Chloro-5-nitro-pyrimidin-4-ylamino)-phenyl]-ethanol
• 英文别名: 2-[2-[(6-Chloro-5-nitropyrimidin-4-yl)amino]phenyl]ethanol；2-[2-[(6-chloro-5-nitropyrimidin-4-yl)amino]phenyl]ethanol
• CAS: 469887-18-1
• 化学式: C₁₂H₁₁ClN₄O₃
• 分子量: 294.697
• InChiKey: USYDVGZVMMJKPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[2-(6-Chloro-5-nitro-pyrimidin-4-ylamino)-phenyl]-ethanol 在 sodium thiosulfate 作用下， 生成 N⁶-[o-(hydroxyethyl)phenyl]-4-chloro-5-aminopyrimidine
  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：

  4,6-二氯-5-硝基嘧啶 、 2-氨基苯乙醇 在 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 2-[2-(6-Chloro-5-nitro-pyrimidin-4-ylamino)-phenyl]-ethanol
  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

文献信息

• 9-[(Hydroxymethyl)phenyl]adenines: new aryladenine substrates of adenosine deaminase
  作者：Mohamed Brakta、Devangachinta Murthy、L'Ouverture Ellis、Shashikant Phadtare

  DOI：10.1016/s0960-894x(02)00192-0

  日期：2002.6

  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.