2,4-二氯-1-(4-氯苯基)-5-(2,4,6-三氟苯基)咪唑 | 1146763-78-1

• 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-(2,4,6-三氟苯基)咪唑
• 英文名称: 2,4-dichloro-1-(4-chlorophenyl)-5-(2,4,6-trifluorophenyl)-1H-imidazole
• 英文别名: 2,4-Dichloro-1-(4-chlorophenyl)-5-(2,4,6-trifluorophenyl)-1H-imidazole；2,4-dichloro-1-(4-chlorophenyl)-5-(2,4,6-trifluorophenyl)imidazole
• CAS: 1146763-78-1
• 化学式: C₁₅H₆Cl₃F₃N₂
• 分子量: 377.58
• InChiKey: MHJGFINJYIHFGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  23
• 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：
  4

反应信息

• 作为反应物：
  描述：

  2,4-二氯-1-(4-氯苯基)-5-(2,4,6-三氟苯基)咪唑 、 sodium methylate 以 四氢呋喃 、 甲醇 为溶剂， 反应 16.0h， 以33%的产率得到2,4-dichloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphen-yl)-1H-imidazole
  参考文献：
  名称：

  Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer’s and Other Neurodegenerative Diseases

  摘要：

  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.

  DOI：

  10.1021/acs.jmedchem.7b00475
• 作为产物：
  描述：

  4-chloro-1-(4-chlorophenyl)-5-(2,4,6-trifluorophenyl)-1H-imidazole 在 N-氯代丁二酰亚胺 作用下， 以 氯仿 为溶剂， 反应 16.0h， 生成 2,4-二氯-1-(4-氯苯基)-5-(2,4,6-三氟苯基)咪唑
  参考文献：
  名称：

  [EN] FUNGICIDAL MIXTURES
  [FR] MÉLANGES FONGICIDES

  摘要：

  公开号：

  WO2011056463A4

文献信息

• [EN] MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES MULTI-CIBLE POUR LE TRAITEMENT DE MALADIES NEURODÉGÉNÉRATIVES
  申请人：UNIV PENNSYLVANIA

  公开号：WO2018048969A1

  公开（公告）日：2018-03-15

  The present disclosure provides methods of treating neurodegenerative diseases, peripheral inflammatory conditions, cancers, or parasitic diseases in a subject, comprising administering to the subject a compound of Formula (I), (II), (III), and/or (IV):(I), (II), (III), (IV) or a pharmaceutically acceptable salt thereof, wherein X. R1-R8, R21-R28. R31-R38, and R41-R48 are as defined herein.

  本公开提供了治疗受试者的神经退行性疾病、外周炎症性疾病、癌症或寄生虫病的方法，包括向受试者施用式(I)、(II)、(III)和/或(IV)的化合物：(I)、(II)、(III)、(IV)或其药学上可接受的盐，其中X、R1-R8、R21-R28、R31-R38和R41-R48如本文所定义。
• FUNGICIDAL SUBSTITUTED AZOLES
  申请人：Selby Thomas Paul

  公开号：US20110045101A1

  公开（公告）日：2011-02-24

  Disclosed are compounds of Formula 1, including all geometric and stereoisomers, N-oxides, and salts thereof, wherein J is Q 2 or R 1 ; X is N, CR 2 or CQ 3 ; Y is N or CR 3 ; Z is N or CR 4 ; and Q 1 , Q 2 , Q 3 , R 1 R 2 and R 3 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for controlling plant disease caused by a fungal pathogen comprising applying an effective amount of a compound or a composition of the invention.

  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。
• [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