6-苯基-4-吡啶-4-基-3-(4-嘧啶-2-基哌嗪-1-基)哒嗪 | 886208-76-0

• 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: 6-苯基-4-吡啶-4-基-3-(4-嘧啶-2-基哌嗪-1-基)哒嗪
• 英文名称: 4-pyridyl-6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
• 英文别名: 6-phenyl-4-(pyridin-4-yl)-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyridazine；6-Phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
• CAS: 886208-76-0
• 化学式: C₂₃H₂₁N₇
• 分子量: 395.467
• InChiKey: ZPJGUEPHFXPAQF-UHFFFAOYSA-N

物化性质

• 沸点：
  693.9±65.0 °C(Predicted)
• 密度：
  1.260±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.9
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-苯丙烯溴酸酯 在 四(三苯基膦)钯 、 五氯化磷 、 sodium acetate 、 potassium carbonate 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙二醇二甲醚 、 乙醇 、 正丁醇 为溶剂， 反应 110.0h， 生成 6-苯基-4-吡啶-4-基-3-(4-嘧啶-2-基哌嗪-1-基)哒嗪
  参考文献：
  名称：

  Development of a novel therapeutic suppressor of brain proinflammatory cytokine up-regulation that attenuates synaptic dysfunction and behavioral deficits

  摘要：

  We report the development of a novel, aqueous-soluble, safe, small molecule, experimental therapeutic that suppresses injury-induced, proinflammatory cytokine increases in the brain, with resultant attenuation of synaptic protein biomarker loss and improvement in hippocampus-dependent behavioral deficits. A GMP production scheme for the active pharmaceutical ingredient, compound 17, is presented. The development and large-scale availability of this novel compound allow exploration of new, potentially disease-modifying, therapeutic approaches to CNS disorders. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.028

文献信息

• FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS
  申请人：Watterson D. Martin

  公开号：US20090325973A1

  公开（公告）日：2009-12-31

  The invention relates to chemical compounds, compositions and methods of making and using the same. In particular, the invention provides selected pyridazine compounds of the formula I are independently hydrogen, hydroxyl, alkyl, alkenyl, alkynyl, alkylene, alkenylene, alkoxy, alkenyloxy, cycloalkyl, cycloalkenyl, cycloalkynyl, cycloalkoxy, aryl, aryloxy, arylalkoxy, aroyl, heteroaryl, heterocyclic, acyl, acyloxy, amino, imino, azido, thiol, thioalkyl, thioalkoxy, thioaryl, nitro, cyano, halo, sulfate, sulfenyl, sulfinyl, sulfonyl, sulfonate, sulfoxide, silyl, silyloxy, silylalkyl, silylthio, ═O, ═S, phosphonate, ureido, carboxyl, carbonyl, carbamoyl, or carboxamide; and X is optionally substituted pyrimidinyl or pyridazinyl, an isomer, a pharmaceutically acceptable salt, or derivative thereof. The invention additional relates to compositions comprising the compounds, and methods of using the compounds and compositions for modulation of cellular pathways, for treatment or prevention of inflammatory diseases, for research, drug screening, and therapeutic applications.

  该发明涉及化合物、组合物的化学成分以及制备和使用这些化合物的方法。具体而言，该发明提供了符合以下式I的选择性吡啶并化合物： 其中独立地，R1和R2分别是氢、羟基、烷基、烯基、炔基、烷基烯基、烷基炔基、烷基烷基、烯基烷基、烷氧基、烯氧基、环烷基、环烯基、环炔基、环烷氧基、芳基、芳氧基、芳基烷氧基、芳酰基、杂环芳基、杂环、酰基、酰氧基、氨基、亚胺基、叠氮基、硫醇基、硫烷基、硫烷氧基、硫芳基、硝基、氰基、卤素基、硫酸基、硫醚基、亚硫醚基、磺酰基、磺酸盐基、亚砜基、硫代氧基、硅基、硅氧基、硅基烷基、硅基硫基、 ═O、 ═S、膦酸盐基、脲基、羧基、酰基、氨基甲酰基或羧酰胺基；X是可选地取代的嘧啶基或吡啶基，其异构体、药学上可接受的盐或衍生物。该发明还涉及包含这些化合物的组合物，以及利用这些化合物和组合物调节细胞通路、治疗或预防炎症性疾病、研究、药物筛选和治疗应用的方法。
• AMIDE COMPOUNDS
  申请人：Hu Wenhui

  公开号：US20130245033A1

  公开（公告）日：2013-09-19

  A compound represented by formula (I) and the pharmaceutical acceptable salt thereof are disclosed, wherein, R 1 , R 2 , R 3 , R 4 , R 5 and Ar are defined as those in the specification.

  公开了由化学式（I）表示的化合物及其药用可接受的盐，其中，R1、R2、R3、R4、R5和Ar的定义如规范中所述。
• Pyridazine Compounds, Compositions and Methods
  申请人：Watterson Martin

  公开号：US20080318899A1

  公开（公告）日：2008-12-25

  The invention relates to novel chemical compounds and methods of making and using the same. In particular, the invention provides pyridazine compounds and/or related heterocyclic derivatives, compositions comprising the same, and methods of using pyridazine compounds and/or related heterocyclic derivatives and compositions comprising the same, for modulation of cellular pathways (e.g., signal transduction pathways), for treatment or prevention of inflammatory diseases (e.g., Alzheimer's disease), for research, drug screening, and therapeutic applications.

  本发明涉及新型化合物和制备和使用它们的方法。具体而言，本发明提供吡嗪化合物和/或相关的杂环衍生物，包括这些化合物的组合物，以及使用吡嗪化合物和/或相关的杂环衍生物和组合物的方法，用于调节细胞通路（例如信号转导通路），用于治疗或预防炎症性疾病（例如阿尔茨海默病），用于研究、药物筛选和治疗应用。
• PYRIDAZINE COMPOUNDS, COMPOSITIONS AND METHODS
  申请人：Watterson D. Martin

  公开号：US20120245125A1

  公开（公告）日：2012-09-27

  The invention relates to novel chemical compounds, compositions and methods of making and using the same. In particular, the invention provides pyridazine compounds and/or related heterocyclic derivatives, compositions comprising the same, and methods of making and using pyridazine compounds and/or related heterocyclic derivatives and compositions comprising the same, for modulation of cellular pathways (e.g., signal transduction pathways), for treatment or prevention of inflammatory diseases (e.g., Alzheimer's disease), for, research, drug screening, and therapeutic applications.

  本发明涉及新型化合物、组合物及其制备和使用的方法。特别是，本发明提供了吡嗪化合物和/或相关的杂环衍生物，包括这些化合物的组合物，以及制备和使用这些吡嗪化合物和/或相关的杂环衍生物和组合物的方法，用于调节细胞通路（例如信号转导通路），用于治疗或预防炎症性疾病（例如阿尔茨海默病），用于研究、药物筛选和治疗应用。
• COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS
  申请人：WATTERSON D. Martin

  公开号：US20120157410A1

  公开（公告）日：2012-06-21

  The invention relates to compositions, conjugates and methods comprising pyridazine compounds and cholinesterase inhibitors for modulation of cellular pathways (e.g., signal transduction pathways), for treatment or prevention of inflammatory diseases (e.g., Alzheimer's disease), for research, drug screening, and therapeutic applications.

  本发明涉及含有吡啶二氮化合物和胆碱酯酶抑制剂的组合物、共轭物和方法，用于调节细胞途径（例如，信号转导途径），用于治疗或预防炎症性疾病（例如，阿尔茨海默病），用于研究、药物筛选和治疗应用。