1-phenyl-2,4-dioxo-5,6-diaminopyrimidine | 15837-47-5

• 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-phenyl-2,4-dioxo-5,6-diaminopyrimidine
• 英文别名: 1-Phenyl-5,6-diaminouracil；5,6-diamino-1-phenyl-1H-pyrimidine-2,4-dione；5,6-Diamino-1-phenyl-1H-pyrimidin-2,4-dion；5,6-diamino-1-phenyl-1,3-dihydropyrimidine-2,4-dione；5,6-diamino-1-phenylpyrimidine-2,4-dione
• CAS: 15837-47-5
• 化学式: C₁₀H₁₀N₄O₂
• mdl: MFCD07762464
• 分子量: 218.215
• InChiKey: QJZONLGVDUWPED-UHFFFAOYSA-N

物化性质

• 熔点：
  222 °C (decomp)
• 密度：
  1.406±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-phenyl-2,4-dioxo-5,6-diaminopyrimidine 在 potassium cyanate 、 水 、 sodium carbonate 作用下， 生成 3-phenyl-uric acid
  参考文献：
  名称：

  用N，N'取代Pyrimidin和Purinderivate。三，Mitteilung：甲基3-苯基-harnsäure

  摘要：

  DOI：

  10.1002/hlca.19320150154
• 作为产物：
  描述：

  1-Phenyl-5-nitroso-6-amino-uracil 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 1-phenyl-2,4-dioxo-5,6-diaminopyrimidine
  参考文献：
  名称：

  Structure and activity relationships of novel uracil derivatives as topical anti-inflammatory agents

  摘要：

  In order to create novel, topical anti-inflammatory compounds exhibiting more potent activities than lead compound CX-659S (1), we designed and synthesized various derivatives of 1 focusing on the uracil N(l)- and N(3)-substituents, and evaluated their anti-inflammatory activities via inhibition of the picryl chloride-induced contact hypersensitivity reaction (CHR) in mice. In the course of our structure and activity relationship study, we found that compounds 6k, 6q, and 6r inhibited by approximately 50% the CHR, at 0.1 mg/ear. These activities were essentially equipotent with that of Tacrolimus, a strong immunosuppressant. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.09.012

文献信息

• A2B adenosine receptor antagonists
  申请人：Kalla Rao

  公开号：US20050101778A1

  公开（公告）日：2005-05-12

  Disclosed are novel A 2B adenosine receptor antagonists having the structure of Formula I or Formula II: The compounds are particularly useful for treating asthma, inflammatory gastrointestinal tract disorders, cardiovascular diseases, neurological disorders, and diseases related to undesirable angiogenesis.

  揭示了具有Formula I或Formula II结构的新型A2B腺苷受体拮抗剂：这些化合物特别适用于治疗哮喘、炎症性胃肠道疾病、心血管疾病、神经系统疾病以及与不良血管生成相关的疾病。
• A2B Adenosine receptor antagonists
  申请人：Kalla Rao

  公开号：US20050261316A1

  公开（公告）日：2005-11-24

  Disclosed are novel compounds that are A 2B adenosine receptor antagonists, useful for treating various disease states, including asthma and diarrhea.

  揭示了一种新颖的化合物，它们是A2B腺苷受体拮抗剂，可用于治疗包括哮喘和腹泻在内的各种疾病状态。
• Synthesis of 2,4-substituted 6,7-phenanthreno-and 6,7-acenaphthenopteridines
  作者：Vishnu J. Ram、Hrishi Kesh Pandey、Arnold J. Vlietinck

  DOI：10.1002/jhet.5570180111

  日期：1981.1

  A series of 6,7-phenanthreno- and 6,7-acenaphthenopteridines bearing different substituents at positions 2 and 4 are prepared. The structures of the compounds are confirmed by spectroscopic studies and elemental analyses.

  制备一系列在位置2和4带有不同取代基的6，7-菲-和6，7-ac烯啶。化合物的结构通过光谱研究和元素分析得到证实。
• Purine analogues as potential chemotherapeutic agents. III
  作者：Vishnu J. Ram、H. K. Pandey、Arnold J. Vlietinck

  DOI：10.1002/jhet.5570190129

  日期：1982.1

  Alkylation of 3-phenyl/benzyl-8-mercaptoxanthines and 2-phenyl-8-mercaptoadenine with various alkyl halides under different conditions is studied. The structure of the compounds is confirmed by spectroscopic studies and elemental analyses.

  研究了3-苯基/苄基-8-巯基黄嘌呤和2-苯基-8-巯基腺嘌呤在不同条件下与各种烷基卤化物的烷基化。化合物的结构通过光谱学研究和元素分析得到证实。
• A2B ADENOSINE RECEPTOR ANTAGONISTS
  申请人：Kalla Rao

  公开号：US20080318983A1

  公开（公告）日：2008-12-25

  Disclosed are methods for treating asthma, inflammatory gastrointestinal tract disorders, cancer, cardiovascular diseases, neurological disorders, and diseases related to undesirable angiogenesis using A 2B adenosine receptor antagonists having the structure of Formula I or Formula II:

  本发明涉及使用具有结构公式I或公式II的A2B腺苷受体拮抗剂治疗哮喘、炎症性肠道疾病、癌症、心血管疾病、神经系统疾病和与不良血管生成有关的疾病的方法。