9-methyl-3-acetylamino-4-aminoquinolino[2',3'-5,4](3-1H-pyrazolino)[2,3-a]pyrimidin-2-one | 500904-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-methyl-3-acetylamino-4-aminoquinolino[2',3'-5,4](3-1H-pyrazolino)[2,3-a]pyrimidin-2-one
• CAS: 500904-73-4
• 化学式: C₁₆H₁₄N₆O₂
• 分子量: 322.326
• InChiKey: RZQXRFNUYAZKST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  24.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  118.17
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  9-methyl-3-acetylamino-4-aminoquinolino[2',3'-5,4](3-1H-pyrazolino)[2,3-a]pyrimidin-2-one 在 sodium 、 盐酸 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以65%的产率得到2,9-dimethyl-3H,12H-quinolino[2',3'-5,4](3-pyrazolino)[3,2-b]purin-4-one
  参考文献：
  名称：

  Synthesis and Benzodiazepine Receptor Binding Activity of 2, 9-Disubstituted Quinolino[2′, 3′-5, 4](3-pyrazolino)[3, 2-b]purin-4-ones

  摘要：

  2,9-Disubstituted quinolino[2',3'-5,4](3-pyrazolino)pyrimidin-2-ones and purin-4-ones were synthesized and their benzodiazepine receptor activity was evaluated for their ability to displace [H-3]R015-1788 from its specific binding in bovine brain membranes. Compound 5c caused 83+/-8% inhibition in [3H]R015-1788 specific benzodiazepine receptor binding followed by compounds 5f, 5h, and 5i while other analogs were inactive at 10 muM concentration.

  DOI：

  10.1002/1521-4184(200205)335:5<207::aid-ardp207>3.0.co;2-5
• 作为产物：
  描述：

  7-甲基-1H-吡唑并[3,4-b]喹啉-3-胺 在 ammonium hydroxide 、 sodium dithionite 、 sodium ethanolate 、 sodium acetate 作用下， 以 1,4-二氧六环 、 溶剂黄146 为溶剂， 反应 7.5h， 生成 9-methyl-3-acetylamino-4-aminoquinolino[2',3'-5,4](3-1H-pyrazolino)[2,3-a]pyrimidin-2-one
  参考文献：
  名称：

  Synthesis and Benzodiazepine Receptor Binding Activity of 2, 9-Disubstituted Quinolino[2′, 3′-5, 4](3-pyrazolino)[3, 2-b]purin-4-ones

  摘要：

  2,9-Disubstituted quinolino[2',3'-5,4](3-pyrazolino)pyrimidin-2-ones and purin-4-ones were synthesized and their benzodiazepine receptor activity was evaluated for their ability to displace [H-3]R015-1788 from its specific binding in bovine brain membranes. Compound 5c caused 83+/-8% inhibition in [3H]R015-1788 specific benzodiazepine receptor binding followed by compounds 5f, 5h, and 5i while other analogs were inactive at 10 muM concentration.

  DOI：

  10.1002/1521-4184(200205)335:5<207::aid-ardp207>3.0.co;2-5