4,5-二氯-2-(4-三氟甲基苯基)哒嗪-3-酮 | 62436-07-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,5-二氯-2-(4-三氟甲基苯基)哒嗪-3-酮
• 中文别名: 4,5-二氯-2-(4-三氟甲基苯基)-3-酮；4,5-二氯-2-[4-(三氟甲基)苯基]吡嗪-3(2H)-酮
• 英文名称: 4,5-dichloro-2-(4-trifluoromethylphenyl)-3(2H)-pyridazinone
• 英文别名: 4,5-dichloro-2-(4-trifluoromethyl)phenyl-3(2H)pyridazinone；SKI-267060；4,5-Dichloro-2-(4-(trifluoromethyl)phenyl)pyridazin-3(2H)-one；4,5-dichloro-2-[4-(trifluoromethyl)phenyl]pyridazin-3-one
• CAS: 62436-07-1
• 化学式: C₁₁H₅Cl₂F₃N₂O
• mdl: MFCD01313341
• 分子量: 309.075
• InChiKey: JPRADYWRQUBOIS-UHFFFAOYSA-N

物化性质

• 熔点：
  139-140°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  4,5-二氯-2-(4-三氟甲基苯基)哒嗪-3-酮 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  One-pot synthesis of [1,2,3]triazole-fused pyrazinopyridazindione tricycles by a ‘click and activate’ approach

  摘要：

  Substituted [1,2,3]triazole-fused pyrazinopyridazindione tricycles were synthesized in a four-component, stepwise condensation. The key step in this one-pot process was a thermal [3+2] triazole formation which activated the adjacent position and set the stage for a subsequent tandem nucleophilic aromatic substitution/cyclization sequence. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.11.030
• 作为产物：
  描述：

  糠氯酸 、 4-(三氟甲基)苯肼 在 盐酸 作用下， 以 水 为溶剂， 生成 4,5-二氯-2-(4-三氟甲基苯基)哒嗪-3-酮
  参考文献：
  名称：

  Compounds for the Treatment of Neurodegeneration and Stroke

  摘要：

  揭示了用于合成的化合物及相关方法，以及用于治疗神经退行性疾病的化合物的使用。这些化合物与PARG和/或PARP抑制有关。治疗应用于预防或抑制多种神经退行性疾病，包括帕金森病、缺血和中风等神经细胞死亡。还揭示了一种用于识别能够抑制PARG和/或PARP的化合物的高通量筛选方法。

  公开号：

  US20070032496A1

文献信息

• 3(2H)-pyridazinone derivatives, and their uses in insecticidal
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US04910201A1

  公开（公告）日：1990-03-20

  Novel 3(2H)-pyridazinone derivatives of the formula (I): ##STR1## wherein, X represents a halogen, an alkyl, a haloalkyl, a haloalkoxy atoms, NO.sub.2, an alkoxy or ##STR2## (wherein, R represents an alkyl); n is 1 to 4; A represents hydrogen, a halogen, an alkyl or an alkoxy; B represents CX.sub.1 (wherein, X.sub.1 represents H or a halogen) or N; R.sup.1 and R.sup.2 represent each independently H or an alkyl; E represents H, a halogen, an alkoxy or --OH; and Q represents: ##STR3## (wherein, Y represents a halogen, an alkyl, an alkoxy, a haloalkyl, a haloalkoxy, CN, ##STR4## (wherein, Z represents a halogen, an alkyl, an alkoxy or a haloalkyl atoms, and l is 0, 1 to 5, said Z being the same or different when l is 2 to 5); and m is 1 to 5, said Y being the same or different when n is 2 to 4. A process for preparation of said derivatives is also provided. These derivatives are useful as an active ingredient of insecticidal composition.

  式(I)的新型3(2H)-吡啶嗪衍生物：##STR1## 其中，X代表卤素、烷基、卤代烷基、卤代烷氧基、NO.sub.2、烷氧基或##STR2##（其中，R代表烷基）；n为1至4；A代表氢、卤素、烷基或烷氧基；B代表CX.sub.1（其中，X.sub.1代表H或卤素）或N；R.sup.1和R.sup.2各自独立地代表H或烷基；E代表H、卤素、烷氧基或--OH；Q代表：##STR3##（其中，Y代表卤素、烷基、烷氧基、卤代烷基、卤代烷氧基、CN、##STR4##（其中，Z代表卤素、烷基、烷氧基或卤代烷基，l为0、1至5，当l为2至5时，所述Z相同时或不同时）；m为1至5，当n为2至4时，所述Y相同时或不同时。还提供了制备所述衍生物的方法。这些衍生物可用作杀虫剂组合物的活性成分。
• PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS
  申请人：Djaballah Hakim

  公开号：US20100210649A1

  公开（公告）日：2010-08-19

  The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.

  本发明涉及式(I)的吡啶二酮化合物和式(II)的呋喃化合物，以及式(I)和(II)化合物的制药组合物、包含这些化合物的试剂盒、合成方法，以及通过给予式(I)或(II)化合物的治疗有效量来治疗受体内增生性疾病的方法。这两类化合物是通过筛选小分子库的集合而确定的。
• Pyridazinone derivatives, process for preparation thereof and insecticidal compositions
  申请人：NISSAN CHEMICAL INDUSTRIES LTD.

  公开号：EP0210647A2

  公开（公告）日：1987-02-04

  Novel 3(2H)-pyridazinone derivatives of the formula (I): wherein, X represents a halogen, an alkyl, a haloalkyl, a haloalkoxy atoms, N02, an alkoxy or (wherein, R represents an alkyl); n is 1 to 4; A represents hydrogen, a halogen, an alkyl or an alkoxy; B represents CX, (wherein, X1 represents H or a halogen) or N; R1 and R2 represent each independently H or an alkyl; E represents H, a halogen, an alkoxy or -OH; and Q represents: (wherein, Y represents a halogen, an alkyl, an alkoxy, a haloalkyl, haloalkoxy, CN, (wherein, Z represents a halogen, an alkyl, an alkoxy or a haloalkyl atoms, and is 0, 1 to 5, said Z being the same or different when is 2 to 5); and m is 1 to 5, said Y being the same or different when m is 2 to 5), said X being the same or different when n is 2 to 4. A process for preparation of said derivatives is also provided. These derivatives are useful as an active ingredient of insecticidal composition.

  式(I)的新型 3(2H)-哒嗪酮衍生物： 其中，X 代表卤素、烷基、卤代烷基、卤代烷氧基原子、N02、烷氧基或 (其中，R 代表烷基）； n 为 1 至 4； A 代表氢、卤素、烷基或烷氧基； B 代表 CX、（其中，X1 代表 H 或卤素）或 N； R1 和 R2 各自独立地代表 H 或烷基； E 代表 H、卤素、烷氧基或-OH；以及 Q 代表 (其中，Y 代表卤素、烷基、烷氧基、卤代烷基、卤代烷氧基、CN、 (其中，Z 代表卤素、烷基、烷氧基或卤代烷基原子，且为 0、1 至 5，当为 2 至 5 时，所述 Z 相同或不同）；且 m 为 1 至 5，当 m 为 2 至 5 时，所述 Y 相同或不同），当 n 为 2 至 4 时，所述 X 相同或不同。 还提供了制备所述衍生物的工艺。这些衍生物可用作杀虫组合物的活性成分。
• Pyridazinones and furan-containing compounds
  申请人：Sloan-Kettering Institute For Cancer Research

  公开号：EP2518063A1

  公开（公告）日：2012-10-31

  The present invention is directed to pyridazinone compounds of formula (I) and furan compounds of formula (II), pharmaceutical compositions of compounds of formula (I) and (II), kits containing these compounds, methods of syntheses, and a method of treatment of a proliferative disease in a subject by administration of a therapeutically effective amount of a compound of formulae (I) or (II). Both classes of compounds were identified through screening of a collection of small molecule libraries.

  本发明涉及式(I)哒嗪酮化合物和式(II)呋喃化合物、式(I)和(II)化合物的药物组合物、含有这些化合物的试剂盒、合成方法以及通过施用治疗有效量的式(I)或(II)化合物治疗受试者增殖性疾病的方法。这两类化合物都是通过筛选一系列小分子化合物库确定的。
• Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7)
  作者：Mariangela Urbano、Miguel Guerrero、Jian Zhao、Subash Velaparthi、S. Adrian Saldanha、Peter Chase、Zhiwei Wang、Olivier Civelli、Peter Hodder、Marie-Therese Schaeffer、Steven Brown、Hugh Rosen、Edward Roberts

  DOI：10.1016/j.bmcl.2012.09.074

  日期：2012.12

  Novel smallmolecule antagonists ofNPBWR1 (GPR7) are herein reported. A high-throughput screening (HTS) of the Molecular Libraries-Small Molecule Repository library identified 5-chloro-4-(4-methoxyphenoxy)-2-(p-tolyl)pyridazin-3(2H)-one as a NPBWR1 hit antagonist with micromolar activity. Design, synthesis and structure-activity relationships study of the HTS-derived hit led to the identification of 5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy) pyridazin-3(2H)-one lead molecule with sub-micromolar antagonist activity at the target receptor and high selectivity against a panel of therapeutically relevant off-target proteins. This lead molecule may provide a pharmacological tool to clarify the molecular basis of the in vivo physiological function and therapeutic utility of NPBWR1 in diverse disease areas including inflammatory pain and eating disorders. (C) 2012 Elsevier Ltd. All rights reserved.