4,5-二氯-2-(4-氯苯基)-2,3-二氢哒嗪-3-酮 | 33098-11-2

• 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: 4,5-二氯-2-(4-氯苯基)-2,3-二氢哒嗪-3-酮
• 英文名称: 4,5-dichloro-2-(4-chloro-phenyl)-2H-pyridazin-3-one
• 英文别名: 2-(4-chlorophenyl)-4,5-dichloro-3-pyridazinone；4,5-dichloro-2-(4-chlorophenyl)-3(2H)-pyridazinone；SKI-104004；4,5-Dichlor-1-(4-chlor-phenyl)-pyridazon；4,5-Dichloro-2-(4-chlorophenyl)-2,3-dihydropyridazin-3-one；4,5-dichloro-2-(4-chlorophenyl)pyridazin-3-one
• CAS: 33098-11-2
• 化学式: C₁₀H₅Cl₃N₂O
• mdl: MFCD00814268
• 分子量: 275.521
• InChiKey: NSDMHMDFFLRTAE-UHFFFAOYSA-N

物化性质

• 熔点：
  186-188 °C(Solv: ethanol (64-17-5))
• 沸点：
  353.0±52.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,5-二氯-2-(4-氯苯基)-2,3-二氢哒嗪-3-酮 在 copper(l) iodide 、 caesium carbonate 、 sodium iodide 作用下， 以 1,4-二氧六环 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  Optical molecular imaging of lysyl oxidase activity – detection of active fibrogenesis in human lung tissue

  摘要：

  一种荧光探针可以实时测量离体驴和人肺组织中的赖氨酸氧化酶活性。

  DOI：

  10.1039/c5sc01258a
• 作为产物：
  描述：

  3,4-二氯-5-羟基-5H-呋喃-2-酮 、 4-氯苯肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 6.0h， 生成 4,5-二氯-2-(4-氯苯基)-2,3-二氢哒嗪-3-酮
  参考文献：
  名称：

  Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7)

  摘要：

  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.

  DOI：

  10.1016/j.bmcl.2012.09.074

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.

  3(2H)-吡啶并嗪酮衍生物的化学式（I）：其中，X代表卤素、烷基、卤代烷基、卤代氧基、NO.sub.2、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.sub.1（其中，X.sub.1代表H或卤素）或N；R.sup.1和R.sup.2分别表示H或烷基；E代表H、卤素、烷氧基或—OH；Q代表：（其中，Y代表卤素、烷基、烷氧基、卤代烷基、卤代氧基、CN、（其中，Z代表卤素、烷基、烷氧基或卤代烷基原子，l为0、1至5，当l为2至5时，Z相同时或不同）；m为1至5，当n为2至4时，Y相同时或不同。还提供了制备这些衍生物的方法。这些衍生物可用作杀虫剂配方的活性成分。
• Substituted 2-phenyl-3(2h)-pyridazinones
  申请人：Schohe-Loop Rudolf

  公开号：US20060004015A1

  公开（公告）日：2006-01-05

  The invention relates to substituted 2-phenyl-3(2h)-pyridazinones, to a method for the production thereof, and to their use as medicaments used in the prophylaxis and/or treatment of diseases in humans and/or animals.

  本发明涉及替代的2-苯基-3（2H）-吡啶嗪酮，其制备方法，以及其作为用于预防和/或治疗人类和/或动物疾病的药物的用途。
• 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。
• Small molecule ferroptosis inducers
  申请人：THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK

  公开号：US10947188B2

  公开（公告）日：2021-03-16

  The present invention provides, inter alia, a compound according to formula (I): Also provided are compositions containing a pharmaceutically acceptable carrier and a compound according to the present invention. Further provided are methods for regulating GPX4 in a cell and methods for inducing ferroptosis in a cell.

  本发明特别提供了一种符合式 (I) 的化合物： 还提供了含有药学上可接受的载体和根据本发明的化合物的组合物。此外，还提供了调节细胞中 GPX4 的方法和诱导细胞中铁细胞凋亡的方法。