N-amino-4-methoxypyridinium 2,4-dinitrophenolate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-amino-4-methoxypyridinium 2,4-dinitrophenolate
• 英文别名: N-amino-4-methoxypyridin-1-ium 2,4-dinitrophenolate；1-amino-4-methoxypyridin-1-ium 2,4-dinitrophenolate；1-amino-4-methoxy-pyridinium 2,4-dinitro-phenolate；2,4-dinitro-phenolate 1-amino-4-methoxy-pyridinium；4-[Hydroxy(oxo)ammonio]-2-nitro-phenolate;4-methoxypyridin-1-ium-1-amine；2,4-dinitrophenolate;4-methoxypyridin-1-ium-1-amine
• 化学式: C₆H₃N₂O₅*C₆H₉N₂O
• 分子量: 308.25
• InChiKey: GQBMXJBLDORDGT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  154
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-amino-4-methoxypyridinium 2,4-dinitrophenolate 在 氢溴酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 1H-pyrazolo[1,5-a]pyridin-5-one
  参考文献：
  名称：

  一种高效盐诱导激酶抑制剂及其制备方法

  摘要：

  本发明公开了一种高效盐诱导激酶抑制剂及其制备方法，其特征在于：包括化学式的物质：本发明提供了一种具有优良性能的盐诱导激酶抑制剂具有较高的体外实验的抑制活性，同时还具有较高的细胞抑制活性。

  公开号：

  CN113336751A
• 作为产物：
  描述：

  4-甲氧基吡啶 、 2,4-二硝基苯基羟胺 以 二氯甲烷 为溶剂， 反应 18.0h， 以86%的产率得到N-amino-4-methoxypyridinium 2,4-dinitrophenolate
  参考文献：
  名称：

  一种高效盐诱导激酶抑制剂及其制备方法

  摘要：

  本发明公开了一种高效盐诱导激酶抑制剂及其制备方法，其特征在于：包括化学式的物质：本发明提供了一种具有优良性能的盐诱导激酶抑制剂具有较高的体外实验的抑制活性，同时还具有较高的细胞抑制活性。

  公开号：

  CN113336751A

文献信息

• NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Kim Jeom-Yong

  公开号：US20100256133A1

  公开（公告）日：2010-10-07

  Novel compounds having indazole frameworks, as well as a method for preparing the same and a pharmaceutical composition comprising the same are provided. The compounds of the present invention can inhibit protein kinase activity and thus the pharmaceutical composition of the present invention can be used to prevent or treat diseases or disorders which are related to protein kinase activity.

  提供了具有吲唑骨架的新化合物，以及制备这些化合物的方法和包含这些化合物的药物组合物。本发明的化合物可以抑制蛋白激酶活性，因此本发明的药物组合物可用于预防或治疗与蛋白激酶活性相关的疾病或障碍。
• Indolizines and aza-analog derivatives thereof as CNS active compounds
  申请人：SCHWARZ PHARMA AG

  公开号：EP1972628A1

  公开（公告）日：2008-09-24

  Presently disclosed are indolicine-based compounds of the general formula which have medical utility, for example as antipsychotics.

  目前披露的是具有医疗用途的通式为的基于吲哚啉的化合物，例如作为抗精神病药物。
• INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS
  申请人：Gmeiner Peter

  公开号：US20100168125A1

  公开（公告）日：2010-07-01

  The present application relates to indolizine-based compounds of the general formula (I) and aza-analogs thereof, which have medical utility, for example as antipsychotics.

  本申请涉及基于吲哚嗪的化合物的一般式(I)和其氮杂环类似物，这些化合物具有医学效用，例如作为抗精神病药物。
• Synthesis of 2-fluorinated pyrazolo[1,5-a]pyridines via base- mediated [3+2] cycloaddition of N-aminopyridinium salts with gem-difluorostyrenes
  作者：Yang Feng、Yuanyuan Wu、Zengjiang Yue、Ying Fu、Zhengyin Du

  DOI：10.1039/d4nj02150a

  日期：——

  2-fluoropyrazolo[1,5-a]pyridines through base-promoted [3+2] cycloaddition of N-aminopyridinium salts with gem-difluorostyrenes has been established. A range of N-heterocycles with 2-fluorinated pyrazo[1,5-a]pyridines were efficiently obtained in moderate to good yields. The impact of different substituents on the reaction was discussed in detail. The protocol shows great potential for the synthesis of valuable

  建立了通过N-氨基吡啶鎓盐与偕二氟苯乙烯的碱促进[3+2]环加成反应构建2-氟吡唑并[1,5-a]吡啶的方法。以中等至良好的收率有效地获得了一系列具有 2-氟化吡唑[1,5-a]吡啶的 N-杂环。详细讨论了不同取代基对反应的影响。该方案显示了利用宝石二氟苯乙烯作为含氟结构单元合成有价值的氟化化合物的巨大潜力。
• Bicyclic melatonin receptor agonists containing a ring-junction nitrogen: Synthesis, biological evaluation, and molecular modeling of the putative bioactive conformation
  作者：Jan Elsner、Frank Boeckler、Kathryn Davidson、David Sugden、Peter Gmeiner

  DOI：10.1016/j.bmc.2005.10.042

  日期：2006.3

  Employing 1,3-dipolar cycloaddition for the synthesis of the 7a-azaindole nucleus, analogues of melatonin have been synthesized and tested against human and amphibian melatonin receptors. Introducing a phenyl substituent ill position 2 of the heterocyclic moiety significantly increased binding affinity to both the MT1 and MT2 receptors. Shifting the methoxy group from position 5 to 2 of the 7a-azaindole ring led to a substantial reduction of MT1 binding when MT2 recognition was maintained. We theoretically investigated the hypothesis whether the 2-methoxy function of the azamelatonin analogue 27 is able to mimic the 5-methoxy group of the neurohormone by directing its 2-methoxy function toward the methoxy binding site. DFT calculations and experimental binding differences of analogue compounds indicate that the energy gained by forming the methoxy-specific hydrogen-bond interaction should exceed the energy required for adopting ail alternative conformation. (c) 2005 Elsevier Ltd. All rights reserved.