2,4-二氯-1-(4-氯苯基)-5-(2,6-二氟苯基)咪唑 | 1146717-90-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2,4-二氯-1-(4-氯苯基)-5-(2,6-二氟苯基)咪唑
• 英文名称: 2,4-dichloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)-1H-imidazole
• 英文别名: 1-(4-chlorophenyl)-2,4-dichloro-5-(2,6-difluorophenyl)-1H-imidazole；2,4-dichloro-1-(4-chlorophenyl)-5-(2,6-difluorophenyl)imidazole
• CAS: 1146717-90-9
• 化学式: C₁₅H₇Cl₃F₂N₂
• 分子量: 359.59
• InChiKey: ZMNPQZYVFNVDBC-UHFFFAOYSA-N

物化性质

• 沸点：
  462.7±55.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090

反应信息

• 作为产物：
  描述：

  2,6-二氟苯甲醛 在 N-氯代丁二酰亚胺 、 potassium carbonate 作用下， 以 甲醇 、 乙二醇二甲醚 、 氯仿 、 甲苯 为溶剂， 反应 36.0h， 生成 2,4-二氯-1-(4-氯苯基)-5-(2,6-二氟苯基)咪唑
  参考文献：
  名称：

  FUNGICIDAL SUBSTITUTED AZOLES

  摘要：

  揭示了公式1的化合物，包括所有的几何和立体异构体，N-氧化物和盐，其中J是Q2或R1；X是N，CR2或CQ3；Y是N或CR3；Z是N或CR4；Q1，Q2，Q3，R1，R2和R3如披露中定义的。还披露了含有公式1化合物的组合物以及控制由真菌病原体引起的植物疾病的方法，包括施用本发明的化合物或组合物的有效量。

  公开号：

  US20110045101A1

文献信息

• Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer’s and Other Neurodegenerative Diseases
  作者：Anne-Sophie Cornec、Ludovica Monti、Jane Kovalevich、Vishruti Makani、Michael J. James、Krishna G. Vijayendran、Killian Oukoloff、Yuemang Yao、Virginia M.-Y. Lee、John Q. Trojanowski、Amos B. Smith、Kurt R. Brunden、Carlo Ballatore

  DOI：10.1021/acs.jmedchem.7b00475

  日期：2017.6.22

  Alzheimer's disease (AD) is a complex, multifactorial disease in which different neuropathological mechanisms are likely involved, including those associated with pathological tau and A beta species as well as neuroinflammation. In this context, the development of single multitargeted therapeutics directed against two or more disease mechanisms could be advantageous. Starting from a series of 1,5-diarylimidazoles with microtubule (MT)-stabilizing activity and structural similarities with known NSALDs, we conducted structure-activity relationship studies that led to the identification of multitargeted prototypes with activities as MT-stabilizing agents and/or inhibitors of the cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) pathways. Several examples are brain-penetrant and exhibit balanced multitargeted in vitro activity in the low mu M range. As brain-penetrant MT-stabilizing agents have proven effective against tau-mediated neurodegeneration in animal models, and because COX- and 5-LOX-derived eicosanoids are thought to contribute to A beta plaque deposition, these 1,5-diarylimidazoles provide tools to explore novel multitargeted strategies for AD and other neurodegenerative diseases.
• [EN] FUNGICIDAL SUBSTITUTED AZOLES<br/>[FR] AZOLES SUBSTITUÉS FONGICIDES
  申请人：DU PONT

  公开号：WO2009137538A3

  公开（公告）日：2012-04-19
• [EN] FUNGICIDAL MIXTURES<br/>[FR] MÉLANGES FONGICIDES
  申请人：DU PONT

  公开号：WO2011056463A4

  公开（公告）日：2011-11-17