1,3-dibutyl-6-methyl-1H-pyrimidine-2,4-dione | 439269-72-4

• 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-methyl-1H-pyrimidine-2,4-dione
• 英文别名: 6-methyl-1,3-di-n-butyl-1,3-dihydropyrimidine-2,4-dione；1,3-Dibutyl-6-methylpyrimidine-2,4-dione
• CAS: 439269-72-4
• 化学式: C₁₃H₂₂N₂O₂
• 分子量: 238.33
• InChiKey: PULKYJIQBKJPOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-dibutyl-6-methyl-1H-pyrimidine-2,4-dione 在 palladium on activated charcoal 盐酸 、 硫酸 、 氢气 、 硝酸 、 sodium nitrite 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 24.5h， 生成 4,6-dibutyl-1,4-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
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 双氧水 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 1,3-dibutyl-6-methyl-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  使用硒键合树脂固相合成 1,3,6-三取代尿嘧啶

  摘要：

  描述了一种使用聚合物负载的硒树脂固相合成 1,3,6-三取代尿嘧啶的新方法。新方法的优点是收率高、纯度高、操作简单、产品范围广、多样性高、无气味、树脂稳定性好。

  DOI：

  10.1055/s-2007-983886

文献信息

• A2B adenosine receptor antagonists
  申请人：Kalla Rao

  公开号：US20050119287A1

  公开（公告）日：2005-06-02

  Disclosed are novel compounds that are A 2B adenosine receptor antagonists having the following structure: wherein R 1 and R 2 are independently chosen from hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted aryl, and optionally substituted heteroaryl, and R 4 is an optionally substituted heteroaryl moiety. The compounds of the invention are useful for treating various disease states, including asthma, chronic obstructive pulmonary disorder, pulmonary inflammation, emphysema, diabetic disorders, inflammatory gastrointestinal tract disorders, immunological/inflammatory disorders, cardiovascular diseases, neurological disorders, and diseases related to angiogenesis.

  本发明涉及一种新的化合物，该化合物是A2B腺苷受体拮抗剂，其结构如下：其中R1和R2独立地选择自氢、可选择性取代的烷基、可选择性取代的环烷基、可选择性取代的芳基和可选择性取代的杂环芳基，而R4是可选择性取代的杂环芳基基团。本发明的化合物可用于治疗各种疾病状态，包括哮喘、慢性阻塞性肺疾病、肺部炎症、肺气肿、糖尿病性疾病、炎症性胃肠道疾病、免疫/炎症性疾病、心血管疾病、神经系统疾病和与血管生成相关的疾病。
• A2B ADENOSINE RECEPTOR ANTAGONISTS
  申请人：CV THERAPEUTICS, INC.

  公开号：EP1678181A2

  公开（公告）日：2006-07-12
• PYRIMIDINEDIONE DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Huang Xianhai

  公开号：US20100144764A1

  公开（公告）日：2010-06-10

  The present invention relates to Pyrimidinedione Derivatives, compositions comprising a Pyrimidinedione Derivative and methods for using the Pyrimidinedione Derivatives for treating or preventing a metabolic disorder, dyslipidemia, a cardiovascular disease, a neurological disorder, a hematological disease, cancer, inflammation, a respiratory disease, a gastroenterological disease, diabetes, a diabetic complication, obesity, an obesity-related disorder or non-alcoholic fatty liver disease.
• US7449473B2
  申请人：——

  公开号：US7449473B2

  公开（公告）日：2008-11-11
• [EN] A2B ADENOSINE RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE L'ADENOSINE A2B
  申请人：CV THERAPEUTICS INC

  公开号：WO2005042534A2

  公开（公告）日：2005-05-12

  Disclosed are novel compounds that are A2B adenosine receptor antagonists having the following structure (I) wherein R1 and R2 are independently chosen from hydrogen, optionally substituted alkyl, optionally substituted cycloalkyl, optionally substituted aryl, and optionally substituted heteroaryl, and R4 is an optionally substituted heteroaryl moiety. The compounds of the invention are useful for treating various disease states, including asthma, chronic obstructive pulmonary disorder, pulmonary inflammation, emphysema, diabetic disorders, inflammatory gastrointestinal tract disorders, immunological/inflammatory disorders, cardiovascular diseases, neurological disorders, and diseases related to angiogenesis.