1-isobutylpyrimidin-2,4,6-(1H,3H,5H)trione | 638138-07-5

• 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-isobutylpyrimidin-2,4,6-(1H,3H,5H)trione
• 英文别名: 1-isobutyl-barbituric acid；1-Isobutyl-barbitursaeure；1-(2-Methylpropyl)-1,3-diazinane-2,4,6-trione
• CAS: 638138-07-5
• 化学式: C₈H₁₂N₂O₃
• 分子量: 184.195
• InChiKey: XHBMOOZKVMLXOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-isobutylpyrimidin-2,4,6-(1H,3H,5H)trione 在 三氯氧磷 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 3.5h， 生成 2,2-difluoro-1-[1-isobutyl-2,6-dioxo-4-(pyridinium-1-yl)-1,6-dihydropyrimidine-5-(2H)-ylidene]ethoxide
  参考文献：
  名称：

  TW2016/7950

  摘要：

  公开号：
• 作为产物：
  描述：

  异丁基脲 、 丙二酸 在 乙酸酐 、 溶剂黄146 作用下， 生成 1-isobutylpyrimidin-2,4,6-(1H,3H,5H)trione
  参考文献：
  名称：

  四氧嘧啶新衍生物的制备和性能。

  摘要：

  DOI：

  10.1021/ja01170a004

文献信息

• CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160244461A1

  公开（公告）日：2016-08-25

  The present application relates to novel 2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide derivatives (“thienouracil”-carboxamides), to processes for their preparation, to their use alone or in combinations for the treatment and/or prevention of diseases and to their use for the preparation of medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of pulmonary and cardiovascular disorders.

  本申请涉及新型2,4-二氧-1,2,3,4-四氢噻吩[2,3-d]嘧啶-6-羧酰胺衍生物（“噻吩尿嘧啶”-羧酰胺），其制备方法，它们单独或组合用于治疗和/或预防疾病以及它们用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防肺部和心血管疾病。
• CYCLISCHE THIENOURACIL-CARBOXAMIDE UND IHRE VERWENDUNG
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3055313B1

  公开（公告）日：2017-11-22
• Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence
  申请人：Sabnani Sanjay

  公开号：US20080207601A1

  公开（公告）日：2008-08-28

  Compositions for reducing dependency and addiction to substances of abuse are provided. Chloride channels such as the GABA A receptors are altered under conditions of dependency and withdrawal such that the electrophysiological properties of the GABA A receptor containing neurons are altered thereby providing a pathophysiological condition resulting in symptoms of dependency and withdrawal such as anxiety. Specifically, under conditions of withdrawal the relative ratio of the a1 receptor subunit decreases relative to the a4 receptor subunit. Endogenous neurosteroid production is also associated with the molecular changes underlying the alterations of GABA-gated chloride channels. Compositions of at least two compounds including at least one inhibitor of neurosteroid production are useful for treating the pathophysiology of addiction, dependency and substance abuse withdrawal.
• Methods for the Treatment of Substance Abuse and Dependence
  申请人：Sabnani Sanjay

  公开号：US20080255097A1

  公开（公告）日：2008-10-16

  The present invention relates to methods of and compositions for treating and relieving symptoms and disease associated with indications caused by a physiological drive to alleviate a sensation of anxiety. More specifically, the present invention relates to methods of and compositions for treating and relieving symptoms associated with substance abuse and withdrawal. The present invention relates to methods of and compositions for treating and relieving symptoms associated with addiction to antidepressants, opiates, nicotine or marijuana. In one method, a patient is treated with a composition that directly or indirectly modulates GABA A by modulating the expression of the GABA A receptor a 4 subunit.
• Methods for Treating Anxiety Related Disorders
  申请人：Sabnani Sanjay

  公开号：US20080280885A1

  公开（公告）日：2008-11-13

  The present invention relates to methods of and compositions for treating and relieving symptoms and disease associated with indications caused by a physiological drive to alleviate a sensation of anxiety. In one treatment method, methods of, and compositions for, modulating the expression of certain GABAA receptor subunits are used to treat anxiety-related disorders and depressive disorders associated with physiological tolerance to endogenous neurosteroids.