7-甲基[1,2,4]三唑并[1,5-a]嘧啶-5-醇 | 5217-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 中文名称: 7-甲基[1,2,4]三唑并[1,5-a]嘧啶-5-醇
• 英文名称: 6-Oxo-4-methyl-1,2,4-triazolo<2,3-a>pyrimidin
• 英文别名: 5-Hydroxy-7-methyl-1,3,4-triazaindolizine；7-methyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
• CAS: 5217-59-4
• 化学式: C₆H₆N₄O
• 分子量: 150.14
• InChiKey: BOPVGQUDDIEQAO-UHFFFAOYSA-N

物化性质

• 熔点：
  266-267 °C(Solv: water (7732-18-5))
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  1,1,1-trichloro-4-methoxy-3-penten-2-one 、 3-氨基-1,2,4-三氮唑 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以68%的产率得到7-甲基[1,2,4]三唑并[1,5-a]嘧啶-5-醇
  参考文献：
  名称：

  β-烷氧基乙烯基三氯甲基酮的合成多功能性可用于获得[1,2,4] Triazolo [1,5-a]嘧啶

  摘要：

  摘要 4-烷氧基-4-烷基/芳基-1,1,1-三氯烷基-3-en-2-ones（烯酮）的合成多功能性，可合成[1,2,4]三唑[1,5- a ]据报道，通过简单地控制反应介质，可以保持或从产物中除去三氯甲基的嘧啶。这些烯酮在酸性条件下与3-氨基-1 H -1,2,4-三唑反应，仅提供7-（三氯甲基）-[1,2,4]三唑[1,5- a ]嘧啶，而在碱性条件下条件[1,2,4] triazolo [1,5- a ]嘧啶-5/7 （1 H在消除三氯甲基的情况下获得-。在碱性条件下进行的反应的区域选择性受到起始烯酮中存在的取代基的高度影响。使用这两种方法合成了21个示例，收率高达86％。 4-烷氧基-4-烷基/芳基-1,1,1-三氯烷基-3-en-2-ones（烯酮）的合成多功能性，可合成[1,2,4]三唑[1,5- a ]据报道，通过简单地控制反应介质，可以保持或从产物中除去三氯甲基的嘧啶。这些烯酮在酸性条件下与3-氨基-1

  DOI：

  10.1055/s-0037-1610191

文献信息

• Ether Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239920A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is an ether (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了有关制备抑制补体因子D的化合物、使用方法和制备过程，所述化合物包括具有式I的化合物，或其药用可接受的盐或组合物，其中A组上的R12或R13是醚（R32）。本文描述的抑制剂靶向因子D并在替代性补体途径的早期和关键点上抑制或调节补体级联，并减少因子D调节经典和凝集素补体途径的能力。本文描述的因子D抑制剂能够减少过度激活的补体，这与某些自身免疫、炎症和神经退行性疾病、缺血再灌注损伤和癌症有关。
• NMR Determination of the Structure of Azolopyrimidines Produced from Reaction of Bidentate Electrophiles and Aminoazoles
  作者：Huwaida M. E. Hassaneen、Hamdi M. Hassaneen、Sherif F.M. Khiry、Richard M. Pagni

  DOI：10.1515/znb-2008-0216

  日期：2008.2.1

  A variety of aminoazoles were reacted with bidentate electrophiles producing azolopyrimidines. The regioselectivity of the nucleophilic attack could be defined from the ¹³C chemical shift of the pyrimidine carbons and through NOE experiments

  一系列氨基唑类化合物与双齿亲电试剂发生反应，生成唑吡嘧啶化合物。亲核攻击的区位选择性可通过嘧啶碳的¹³C化学位移和NOE实验来确定。
• Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239838A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了包括公式I或其药学上可接受的盐或组合物的补体因子D抑制剂的化合物、使用方法和制备方法。本文所描述的抑制剂靶向因子D并在替代补体途径的早期和关键点上抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少补体过度激活，该过度激活已与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。
• Phosphonate Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239921A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof wherein R 12 or R 13 on the A group is a phosphonate (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  提供了包括式子I或其药学上可接受的盐或组合物的补体因子D抑制剂的化合物、使用方法和制备方法，其中在A基团上的R12或R13是磷酸酯（R32）。本文所述的抑制剂靶向因子D，在替代性补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病，以及缺血再灌注损伤和癌症有关。
• Amino Compounds for Treatment of Complement Mediated Disorders
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20150239894A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is an amino substituent (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了公式I或其药学上可接受的盐或组合物所组成的抑制补体因子D的化合物、使用方法和制备过程，其中A组上的R12或R13是氨基取代基（R32）。所述抑制剂靶向因子D并在替代性补体途径的早期和关键点上抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。

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