2-chloro-5-(4-chloro-2-methyl-5-(2,4,6-trifluorophenyl)-1H-imidazol-1-yl)pyridine | 1146767-50-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-chloro-5-(4-chloro-2-methyl-5-(2,4,6-trifluorophenyl)-1H-imidazol-1-yl)pyridine
• 英文别名: 2-Chloro-5-[4-chloro-2-methyl-5-(2,4,6-trifluoro-phenyl)-imidazol-1-yl]-pyridine；2-chloro-5-[4-chloro-2-methyl-5-(2,4,6-trifluorophenyl)imidazol-1-yl]pyridine
• CAS: 1146767-50-1
• 化学式: C₁₅H₈Cl₂F₃N₃
• 分子量: 358.15
• InChiKey: GDINQPXYIIZSIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chloro-5-(4-chloro-2-methyl-5-(2,4,6-trifluorophenyl)-1H-imidazol-1-yl)pyridine 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 生成 2-chloro-5-[4-chloro-5-(2,6-difluoro-4-methoxy-phenyl)-2-methyl-imidazol-1-yl]-pyridine
  参考文献：
  名称：

  [EN] NOVEL IMIDAZOLE DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS D'IMIDAZOLE

  摘要：

  本发明涉及一种新型咪唑衍生物，其化学式为（I），作为活性成分具有微生物杀菌活性，特别是真菌杀菌活性：其中，R1代表卤素、C1-C4烷基或C1-C4卤代烷基；R2代表可选取代的芳基或杂环基；R3代表卤素；R4代表氢、卤素、C1-C4烷基、C1-C4卤代烷基、羟基、C1-C4烷氧基、OR6、C1-C4卤代烷氧基或氰基；R5代表卤素；R6代表氢、C3-C7环烷基、C3-C10烷基环烷基、C1-C6卤代烷基、C2-C6烯基、C2-C6卤代烯基、C3-C7环烯基、C2-C6炔基、C2-C6卤代炔基或C2-C6烷氧基烷基；X代表N或C(R)；R代表氢、卤素、C1-C4烷基、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基或氰基；或其农药可用盐酸盐形式；但当X为C(R)时，R2不能是可选取代的芳基。

  公开号：

  WO2009053101A1
• 作为产物：
  描述：

  2-氯-5-氨基吡啶 在 N-氯代丁二酰亚胺 、 potassium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 氯仿 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 129.5h， 生成 2-chloro-5-(4-chloro-2-methyl-5-(2,4,6-trifluorophenyl)-1H-imidazol-1-yl)pyridine
  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

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。
• NOVEL IMIDAZOLE DERIVATIVES
  申请人：Dumeunier Raphael

  公开号：US20110311649A1

  公开（公告）日：2011-12-22

  The present invention relates to novel imidazole derivatives of formula (I) as active ingredients which have microbiocidal activity, in particular fungicidal activity: wherein R 1 is halogen, C 1 -C 4 alkyl or C 1 -C 4 haloalkyl; R 2 is an optionally substituted aryl or heteroaryl; R 3 is halogen; R 4 is hydrogen, halogen, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, hydroxyl, C 1 -C 4 alkoxy, OR 6 , C 1 -C 4 haloalkoxy or cyano; R 5 is halogen; R 6 is hydrogen, C 3 -C 7 cycloalkyl, C 3 -C 10 alkylcycloalkyl, C 1 -C 6 haloalkyl, C 2 -C 6 alkenyl, C 2 -C 6 haloalkenyl, C 3 -C 7 cycloalkenyl, C 2 -C 6 alkynyl, C 2 -C 6 haloalkynyl or C 2 -C 6 alkyloxyalkyl; X is N or C(R); and R is hydrogen, halogen, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkoxy or cyano; or an agrochemically usable salt form thereof; provided that when X is C(R), R 2 cannot be an optionally substituted aryl.

  本发明涉及一种新型咪唑衍生物，其化学式为(I)，作为具有微生物杀菌活性，特别是具有杀真菌活性的活性成分： 其中，R1是卤素，C1-C4烷基或C1-C4卤代烷基；R2是可选取代的芳基或杂环芳基；R3是卤素；R4是氢，卤素，C1-C4烷基，C1-C4卤代烷基，羟基，C1-C4烷氧基，OR6，C1-C4卤代烷氧基或氰基；R5是卤素；R6是氢，C3-C7环烷基，C3-C10烷基环烷基，C1-C6卤代烷基，C2-C6烯基，C2-C6卤代烯基，C3-C7环烯基，C2-C6炔基，C2-C6卤代炔基或C2-C6烷氧基烷基；X是N或C(R)；R是氢，卤素，C1-C4烷基，C1-C4卤代烷基，C1-C4烷氧基，C1-C4卤代烷氧基或氰基；或其农药可用盐酸盐形式；但是当X为C(R)时，R2不能是可选取代的芳基。
• Novel imidazole derivatives
  申请人：Syngenta Participations AG

  公开号：EP2053046A1

  公开（公告）日：2009-04-29

  The present invention relates to novel imidazole derivatives of formula I as active ingredients which have microbiocidal activity, in particular fungicidal activity: wherein R1 is halogen, C1-C4alkyl or C1-C4haloalkyl; R2 is an optionally substituted aryl or heteroaryl; R3 is halogen; R4 is hydrogen, halogen, C1-C4alkyl, C1-C4haloalkyl, hydroxyl. C1-C4alkoxy, OR6, C1-C4haloalkoxy or cyano; R5 is halogen; R6 is hydrogen, C3-C7 cycloalkyl, C3-C10 alkylcycloalkyl, C1-C6 haloalkyl, C2-C6 alkenyl, C2-C6 haloalkenyl, C3-C7 cycloalkenyl, C2-C6 alkynyl, C2-C6 haloalkynyl or C2-C6 alkyloxyalkyl; X is N or C(R); and R is hydrogen, halogen, C1-C4alkyl, C1-C4haloalkyl, C1-C4alkoxy, C1-C4haloalkoxy or cyano; or an agrochemically usable salt form thereof; provided that when X is C(R), R2 cannot be an optionally substituted aryl.

  本发明涉及作为活性成分的式 I 新型咪唑衍生物，它具有杀微生物活性，特别是杀真菌活性： 其中 R1 是卤素、C1-C4 烷基或 C1-C4 卤代烷基； R2 是任选取代的芳基或杂芳基 R3 是卤素 R4 是氢、卤素、C1-C4 烷基、C1-C4 卤代烷基、羟基、C1-C4 烷氧基、OR.C1-C4烷氧基、OR6、C1-C4卤代烷氧基或氰基； R5 是卤素 R6 是氢、C3-C7 环烷基、C3-C10 环烷基、C1-C6 卤代烷基、C2-C6 烯基、C2-C6 卤代烯基、C3-C7 环烯基、C2-C6 炔基、C2-C6 卤代炔基或 C2-C6 烷氧基烷基； X 是 N 或 C(R)；以及 R 是氢、卤素、C1-C4 烷基、C1-C4 卤代烷基、C1-C4 烷氧基、C1-C4 卤代烷氧基或氰基；或其农用盐形式； 条件是 当 X 为 C(R)时，R2 不能是任选取代的芳基。
• SANDPAPER MUTANTS OF BACILLUS AND METHODS OF THEIR USE TO ENHANCE PLANT GROWTH, PROMOTE PLANT HEALTH AND CONTROL DISEASES AND PESTS
  申请人：Bayer CropScience LP

  公开号：EP2654433B1

  公开（公告）日：2017-08-30
• US9185915B2
  申请人：——

  公开号：US9185915B2

  公开（公告）日：2015-11-17