4,6-dibutyl-2-(4,5-dichloro-thiophene-2-sulfonyl)-2,4-dihydro-pyrazolo[4,3-d]-pyrimidine-5,7-dione

• 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: 4,6-dibutyl-2-(4,5-dichloro-thiophene-2-sulfonyl)-2,4-dihydro-pyrazolo[4,3-d]-pyrimidine-5,7-dione
• 英文别名: 4,6-Dibutyl-2-(4,5-dichlorothiophen-2-yl)sulfonylpyrazolo[4,3-d]pyrimidine-5,7-dione
• 化学式: C₁₇H₂₀Cl₂N₄O₄S₂
• 分子量: 479.408
• InChiKey: SGVOPRAUQZUVOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-二正丁基尿素 在 palladium on activated charcoal 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 硫酸 、 氢气 、 硝酸 、 N,N-二异丙基乙胺 、 sodium nitrite 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 为溶剂， 反应 42.5h， 生成 4,6-dibutyl-2-(4,5-dichloro-thiophene-2-sulfonyl)-2,4-dihydro-pyrazolo[4,3-d]-pyrimidine-5,7-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

• US6133273A
  申请人：——

  公开号：US6133273A

  公开（公告）日：2000-10-17
• 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.