5,7-dibutyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione | 301938-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 5,7-dibutyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione
• 英文别名: 5,7-dibutyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 301938-58-9
• 化学式: C₁₃H₂₀N₄O₂
• 分子量: 264.327
• InChiKey: UHUYMNYHSBNXAE-UHFFFAOYSA-N

物化性质

• 沸点：
  449.3±37.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,7-dibutyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione 、 苄磺酰氯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以11%的产率得到2-Benzylsulfonyl-5,7-dibutylpyrazolo[3,4-d]pyrimidine-4,6-dione
  参考文献：
  名称：

  Pyrazolopyrimidine-2,4-dione Sulfonamides:  Novel and Selective Calcitonin Inducers

  摘要：

  A. series of py-razolo[4,3-d]pyrimidine sulfonamides and pyrazolo[3,4-d]pyrimidine sulfonamides have been synthesized. These compounds increase transcription of a calcitonin-luciferase promoter and production of cellular calcitonin in a calcitonin-secretion/RIA assay with minimized phosphodiesterase type 4 inhibitory activity at 30 muM as compared to structurally related xanthine methylene ketones such as denbufyllene. These two series are notable examples of small molecules that act as CT-inducers, a method to potentially treat bone loss diseases.

  DOI：

  10.1021/jm010554s
• 作为产物：
  描述：

  1,3-二丁基-嘧啶-2,4,6-三酮 在 一水合肼 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 10.0h， 生成 5,7-dibutyl-1,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione
  参考文献：
  名称：

  Pyrazolopyrimidine-2,4-dione Sulfonamides:  Novel and Selective Calcitonin Inducers

  摘要：

  A. series of py-razolo[4,3-d]pyrimidine sulfonamides and pyrazolo[3,4-d]pyrimidine sulfonamides have been synthesized. These compounds increase transcription of a calcitonin-luciferase promoter and production of cellular calcitonin in a calcitonin-secretion/RIA assay with minimized phosphodiesterase type 4 inhibitory activity at 30 muM as compared to structurally related xanthine methylene ketones such as denbufyllene. These two series are notable examples of small molecules that act as CT-inducers, a method to potentially treat bone loss diseases.

  DOI：

  10.1021/jm010554s

文献信息

• Pyrazolopyrimidine-2,4-dione Sulfonamides:  Novel and Selective Calcitonin Inducers
  作者：Adam M. Gilbert、Stephen Caltabiano、Frank E. Koehn、Zhen-jia Chen、Gerardo D. Francisco、John W. Ellingboe、Yogendra Kharode、AnnaMarie Mangine、Rita Francis、Mark TrailSmith、David Gralnick

  DOI：10.1021/jm010554s

  日期：2002.5.1

  A. series of py-razolo[4,3-d]pyrimidine sulfonamides and pyrazolo[3,4-d]pyrimidine sulfonamides have been synthesized. These compounds increase transcription of a calcitonin-luciferase promoter and production of cellular calcitonin in a calcitonin-secretion/RIA assay with minimized phosphodiesterase type 4 inhibitory activity at 30 muM as compared to structurally related xanthine methylene ketones such as denbufyllene. These two series are notable examples of small molecules that act as CT-inducers, a method to potentially treat bone loss diseases.