4-Amino-6-hydroxy-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 4-Amino-6-hydroxy-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
• 英文别名: Hydroxyakalone；4-amino-2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,6-dione
• 化学式: C₅H₅N₅O₂
• 分子量: 167.127
• InChiKey: KHPWHSXHIVVNRI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Amino-6-hydroxy-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one 、 碘甲烷 在 silver(l) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以0.5 mg的产率得到4-Dimethylamino-3-methoxy-5,7-dimethyl-5,7-dihydro-pyrazolo[3,4-d]pyrimidin-6-one
  参考文献：
  名称：

  Hydroxyakalone, a Novel Xanthine Oxidase Inhibitor Produced by a Marine Bacterium, Agrobacterium aurantiacum.

  摘要：

  A new xanthine oxidase inhibitor named hydroxyakalone was isolated from the culture broth of a marine bacterium Agrobacterium aurantiacum N-81106. Structure of hydroxyakalone was determined to be 4-amino-1H-pyrazolo[3, 4-d]pyrimidine-3-one-6-ol by the spectral studies of hydroxyakalone and its permethyl derivative. The concentration to induce 50% inhibition (IC50) was 4.6μM against xanthine oxidase.

  DOI：

  10.7164/antibiotics.50.916

文献信息

• Hydroxyakalone, a Novel Xanthine Oxidase Inhibitor Produced by a Marine Bacterium, Agrobacterium aurantiacum.
  作者：HITOSHI IZUMIDA、KYOKO ADACHI、AKIRA MIHARA、TOHRU YASUZAWA、HIROSHI SANO

  DOI：10.7164/antibiotics.50.916

  日期：——

  A new xanthine oxidase inhibitor named hydroxyakalone was isolated from the culture broth of a marine bacterium Agrobacterium aurantiacum N-81106. Structure of hydroxyakalone was determined to be 4-amino-1H-pyrazolo[3, 4-d]pyrimidine-3-one-6-ol by the spectral studies of hydroxyakalone and its permethyl derivative. The concentration to induce 50% inhibition (IC50) was 4.6μM against xanthine oxidase.