1,3-dibutyl-6-chloro-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde | 439269-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3-dibutyl-6-chloro-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde
• 英文别名: 1,3-Dibutyl-4-chloro-2,6-dioxopyrimidine-5-carbaldehyde
• CAS: 439269-78-0
• 化学式: C₁₃H₁₉ClN₂O₃
• 分子量: 286.758
• InChiKey: HOPCTSDKPSNRPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  57.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dibutyl-6-chloro-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde 在 一水合肼 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 9.0h， 生成 5,7-dibutyl-2-methanesulfonyl-2,7-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
• 作为产物：
  描述：

  N,N-二甲基甲酰胺 、 1,3-二丁基-嘧啶-2,4,6-三酮 在 三氯氧磷 作用下， 反应 3.0h， 以90%的产率得到1,3-dibutyl-6-chloro-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde
  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.