(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol
• 化学式: C₁₁H₁₄N₄O₃
• 分子量: 250.257
• InChiKey: DEXGSOQQTISOEO-KDXUFGMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  117
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (1S,4R)-4-hydroxy-2-cyclopentenyl acetate 在 四氧化锇 、 四(三苯基膦)钯 、 氨 、 sodium hydride 、 N-甲基吗啉氧化物 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 52.5h， 生成 (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol
  参考文献：
  名称：

  (+)-7-Deaza-5‘-noraristeromycin as an Anti-Trypanosomal Agent

  摘要：

  The (+)-enantiomer of 7-deaza-5'-noraristeromycin (4) has been found to show IC50 values ranging from 0.16 to 5.3 mu M against four strains of African trypanosomes, one Trypanosoma brucei brucei isolate, and several clinical isolates of Trypanosoma brucei rhodesiense (agent of east African sleeping sickness), including a multidrug resistant clone of one isolate. While this compound was originally designed to inhibit S-adenosyl-L-homocysteine hydrolase, it has been found to have no effect on this enzyme.

  DOI：

  10.1021/jm9605039

文献信息

• (+)-7-Deaza-5‘-noraristeromycin as an Anti-Trypanosomal Agent
  作者：Katherine L. Seley、Stewart W. Schneller、Donna Rattendi、Cyrus J. Bacchi

  DOI：10.1021/jm9605039

  日期：1997.2.1

  The (+)-enantiomer of 7-deaza-5'-noraristeromycin (4) has been found to show IC50 values ranging from 0.16 to 5.3 mu M against four strains of African trypanosomes, one Trypanosoma brucei brucei isolate, and several clinical isolates of Trypanosoma brucei rhodesiense (agent of east African sleeping sickness), including a multidrug resistant clone of one isolate. While this compound was originally designed to inhibit S-adenosyl-L-homocysteine hydrolase, it has been found to have no effect on this enzyme.