4-肼基-6-甲基-2(1H)-嘧啶酮 | 42351-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-肼基-6-甲基-2(1H)-嘧啶酮
• 英文名称: 4-hydrazinyl-6-methyl-1,2-dihydropyrimidin-2-one
• 英文别名: 4-hydrazinyl-6-methyl-1H-pyrimidin-2-one
• CAS: 42351-98-4
• 化学式: C₅H₈N₄O
• mdl: MFCD16659140
• 分子量: 140.145
• InChiKey: OTOWPAWAWTZRGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.5
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4-肼基-6-甲基-2(1H)-嘧啶酮 在 三氟乙酸 作用下， 以 乙醇 为溶剂， 生成 7-methyl-s-triazolo<1,5-c>pyrimidin-5(6H)-one
  参考文献：
  名称：

  The First Reliable, General Synthesis of the 5-Oxo Derivatives of 5,6-Dihydro-1,2,4-triazolo[4,3-c]pyrimidine and the Rates of Isomerization of the [4,3-c] Compounds into Their [1,5-c] Isomers

  摘要：

  This paper describes a reliable synthesis of the 5-oxo derivatives (8) of 5,6-dihydro-1,2,4-triazolo[4,3-c]pyrimidine, by the reaction of 2-oxo-1,2-dihydropyrimidin-4-ylhydrazines (7) with the appropriate triethyl orthoesters in trifluoroacetic acid below 30 degreesC or by the oxidative cyclization of their aldehyde hydrazones (10) with 70% nitric acid in trifluoroacetic acid below 40 degreesC, and the rates of isomerization of the [4,3-c] compounds (8) into the [1,5-c] isomers (9).

  DOI：

  10.3987/com-02-9450
• 作为产物：
  描述：

  6-甲基尿嘧啶 在 劳森试剂 、 一水合肼 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 15.0h， 生成 4-肼基-6-甲基-2(1H)-嘧啶酮
  参考文献：
  名称：

  作为选择性 NLRP3 炎症小体抑制剂的三唑并嘧啶酮衍生物的发现和优化

  摘要：

  NLRP3 炎症小体是一种多蛋白复合物，可促进促炎细胞因子白介素-1β (IL-1β) 和 IL-18 响应感染或内源性刺激而激活和释放。它可能被一系列危险信号不当激活，导致多种疾病的慢性、低度炎症，如阿尔茨海默病、帕金森病、骨关节炎和痛风。有效且特异性的 NLRP3 抑制剂的发现可以减轻几种常见疾病的负担。在这项研究中，我们在计算机建模练习后发现了一种弱效的三唑并嘧啶酮 ( 1 ) 。经过优化，可提供有效且选择性的小分子 NLRP3 炎性体抑制剂。NDT-30805等化合物可能是支架跳跃或药效团生成项目的有用工具分子，或用作临床候选药物开发的先导。

  DOI：

  10.1021/acsmedchemlett.2c00242

文献信息

• [EN] SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS<br/>[FR] BICYCLO-COMPOSÉS DE TRIAZOLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE PDE2
  申请人：MERCK SHARP & DOHME

  公开号：WO2017000277A1

  公开（公告）日：2017-01-05

  The present invention is directed to substituted triazolo bicycliccompounds of formula (I) which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

  本发明涉及一种用于治疗与磷酸二酯酶2（PDE2）相关的中枢神经系统疾病的式（I）的取代三唑杂双环化合物，该化合物可用作治疗神经系统和精神疾病，如精神分裂症、精神病、帕金森病、帕金森病痴呆（PDD）或亨廷顿病，以及与纹状体功能不足或基底神经节功能障碍相关的化合物的用途。
• Intermediates cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US05064953A1

  公开（公告）日：1991-11-12

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The novel cephalosporin derivatives according to the present invention contain condensed heterocyclic groups, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring as substituents at the 3-position of the cephem skeleton, and a hydroxyimino, an alkyloxyimino or an acyloxyimino moiety as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against gram-negative bacteria and also against gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物，其制备方法，包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体化合物和其制备方法。本发明中的新型头孢菌素衍生物含有紧凑的杂环基团，特别是三唑嘧啶环或噻唑嘧啶环作为头孢菌素骨架的3位取代基，并且羟肟基，烷氧肟基或酰氧肟基作为头孢菌素骨架的7位取代基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。
• Cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04888332A1

  公开（公告）日：1989-12-19

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The novel cephalosporin derivatives according to the present invention contain condensed heterocyclic groups, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring as substituents at the 3-position of the cephem skeleton, and a hydroxyimino, an alkyloxyimino or an acyloxyimino moiety as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against gram-negative bacteria and also against gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物，其制备方法，包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体化合物和其制备方法。根据本发明，新型头孢菌素衍生物含有紧凑的杂环基团，特别是三唑嘧啶环或噻唑嘧啶环作为头孢菌素骨架的3位取代基，并在头孢菌素骨架的7位取代基处具有羟肟基，烷氧基肟或酰氧基肟基团。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。
• Claesen; Vanderhaeghe, Bulletin des Societes Chimiques Belges, 1959, vol. 68, p. 30,55
  作者：Claesen、Vanderhaeghe

  DOI：——

  日期：——
• Cricchio; Carniti; Cietto, Farmaco, Edizione Scientifica, 1975, vol. 30, # 9, p. 704 - 720
  作者：Cricchio、Carniti、Cietto、Tamborini、Arioli

  DOI：——

  日期：——