2-(4-Hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-1-phenyl-ethanone | 174535-73-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-Hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-1-phenyl-ethanone
• 英文别名: 6-[(2-oxo-2-phenylethyl)sulfanyl]-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one；6-phenacylsulfanyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
• CAS: 174535-73-0
• 化学式: C₁₉H₁₄N₄O₂S
• mdl: MFCD02082639
• 分子量: 362.412
• InChiKey: OYMNZCZFOPZMNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-Hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-1-phenyl-ethanone 在 硫酸 作用下， 以98%的产率得到1,6-Diphenyl-1H-pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4-one
  参考文献：
  名称：

  Synthesis and NK-2 antagonist effect of 1,6-diphenyl-pyrazolo [3,4-d]-thiazolo[3,2-a]4H-pyrimidin-4-one

  摘要：

  1,6-Diphenyl-pyrazolo[3,4-d]thiazolo[3,2-a]4H-pyrimidin-4-one caused parallel displacement of the dose-response -curve to the NK-2 receptor agonist in the guinea pig trachea suggesting it acts as a competitive antagonist. It is not active in the NK-I and NK-3 receptor binding assays. A Ca++ channel blocking action at the voltage-operated channels (L-type) was observed.

  DOI：

  10.1016/0960-894x(95)00558-b
• 作为产物：
  描述：

  以 乙醇 为溶剂， 生成 2-(4-Hydroxy-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-1-phenyl-ethanone
  参考文献：
  名称：

  Synthesis and NK-2 antagonist effect of 1,6-diphenyl-pyrazolo [3,4-d]-thiazolo[3,2-a]4H-pyrimidin-4-one

  摘要：

  1,6-Diphenyl-pyrazolo[3,4-d]thiazolo[3,2-a]4H-pyrimidin-4-one caused parallel displacement of the dose-response -curve to the NK-2 receptor agonist in the guinea pig trachea suggesting it acts as a competitive antagonist. It is not active in the NK-I and NK-3 receptor binding assays. A Ca++ channel blocking action at the voltage-operated channels (L-type) was observed.

  DOI：

  10.1016/0960-894x(95)00558-b