9-[(1'R,2'S,3'R,4'S)-2',3',4'-trihydroxycyclopentan-1'-yl]-9-H-N⁶-benzoylamino-8-aza-7-deazapurine | 434943-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 9-[(1'R,2'S,3'R,4'S)-2',3',4'-trihydroxycyclopentan-1'-yl]-9-H-N⁶-benzoylamino-8-aza-7-deazapurine
• 英文别名: N-[1-[(1R,2S,3R,4S)-2,3,4-trihydroxycyclopentyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
• CAS: 434943-40-5
• 化学式: C₁₇H₁₇N₅O₄
• 分子量: 355.353
• InChiKey: JXVYVOFZDNMMTR-ZOBORPQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  9-[(1'R,2'S,3'R,4'S)-2',3',4'-trihydroxycyclopentan-1'-yl]-9-H-N⁶-benzoylamino-8-aza-7-deazapurine 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以77%的产率得到9-[(1'R,2'S,3'R,4'S)-2',3',4'-trihydroxycyclopentan-1'-yl]-9-H-6-amino-8-aza-7-deazapurine
  参考文献：
  名称：

  Synthesis of base-modified noraristeromycin derivatives and their inhibitory activity against human and Plasmodium falciparum recombinant S-adenosyl-l-homocysteine hydrolase

  摘要：

  Noraristeromycin derivatives possessing 2- or 8-position modified adenine or 8-aza-7-deazaadenine were synthesized, and their inhibitory activity against human and Plasmodium falciparum (P. falciparum) recombinant SAH hydrolases was investigated. Among these noraristeromycin derivatives, 2-aminonoraristeromycin selectively showed inhibitory activity against P. falciparum recombinant SAH hydrolase. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01247-9
• 作为产物：
  描述：

  9-[(1'R,4'S)-4'-hydroxy-2'-cyclopenten-1'-yl]-9-H-N⁶-benzoylamino-8-aza-7-deazapurine 在 四氧化锇 、 水 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以59%的产率得到9-[(1'R,2'S,3'R,4'S)-2',3',4'-trihydroxycyclopentan-1'-yl]-9-H-N⁶-benzoylamino-8-aza-7-deazapurine
  参考文献：
  名称：

  Synthesis of base-modified noraristeromycin derivatives and their inhibitory activity against human and Plasmodium falciparum recombinant S-adenosyl-l-homocysteine hydrolase

  摘要：

  Noraristeromycin derivatives possessing 2- or 8-position modified adenine or 8-aza-7-deazaadenine were synthesized, and their inhibitory activity against human and Plasmodium falciparum (P. falciparum) recombinant SAH hydrolases was investigated. Among these noraristeromycin derivatives, 2-aminonoraristeromycin selectively showed inhibitory activity against P. falciparum recombinant SAH hydrolase. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)01247-9