1,3,5-Trifluoro-2-isocyanato-4-methylbenzene | 1236202-87-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-Trifluoro-2-isocyanato-4-methylbenzene
• CAS: 1236202-87-1
• 化学式: C₈H₄F₃NO
• 分子量: 187.121
• InChiKey: NWVRTMRIFDXKOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3,5-Trifluoro-2-isocyanato-4-methylbenzene 、 3-(1-benzyl-1,4-dihydroimidazo[4,5-c]pyrazol-5-yl)-4-methylaniline 以 四氢呋喃 为溶剂， 生成 1-[3-(1-benzyl-4H-imidazo[4,5-c]pyrazol-5-yl)-4-methylphenyl]-3-(2,4,6-trifluoro-3-methylphenyl)urea
  参考文献：
  名称：

  1,4-Dihydropyrazolo[4,3-d]imidazole phenyl derivatives: A novel type II Raf kinase inhibitors

  摘要：

  The synthesis of a novel series of 1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives 1a-b, 2a-v and their antiproliferative activities against A375P and WM3629 human melanoma cell line were described. Most compounds showed competitive antiproliferative activities to sorafenib, the reference standard. Among them, pyrazoloimidazole phenyl urea compounds 2a, 2d, 2g, 2i, 2t exhibited potent activities on WM3629 cell lines (IC50 = 0.56-0.86 mu M). Especially, 2t was found to be a potent and selective C-Raf inhibitor, showing a possibility as melanoma therapeutics. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.039

文献信息

• PIPERIDINYL NAPHTHYLACETIC ACIDS
  申请人：Hoffmann-La Roche Inc.

  公开号：US20130150407A1

  公开（公告）日：2013-06-13

  The invention is concerned with the compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists or partial agonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  这项发明涉及式(I)的化合物： 及其药学上可接受的盐，其中R 1 ，R 2 ，R 3 和X在详细说明和权利要求中有定义。此外，本发明涉及制造和使用式I的化合物的方法，以及含有这种化合物的药物组合物。式I的化合物是CRTH2受体的拮抗剂或部分激动剂，可能在治疗与该受体相关的疾病和紊乱方面有用，如哮喘。
• Dioxocyclohexane carboxylic acid phenyl amide derivatives for modulating voltage-gated potassium channels and pharmaceutical compositions containing the same
  申请人：Sarantakis Dimitrios

  公开号：US20060014826A1

  公开（公告）日：2006-01-19

  Dioxocyclohexane carboxylic acid phenyl amide derivatives of Formula (I) or a tautomer or a pharmaceutically acceptable salt thereof or both, and pharmaceutical compositions containing the same are provided: The dioxocyclohexane carboxylic acid phenyl amide derivatives are useful for treating a variety of conditions associated with the abnormal modulation of one or more Kv1.1 voltage-gated potassium channels.

  二氧环己烷羧酸苯胺衍生物，其通式为(I)的化合物或其互变异构体或其药学上可接受的盐，以及含有这些化合物的药物组合物被提供：这些二氧环己烷羧酸苯胺衍生物可用于治疗与一个或多个Kv1.1电压门控钾通道异常调节相关的多种病症。
• BICYCLIC HETEROARYL DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE
  申请人：Jung Seung Hyun

  公开号：US20120302567A1

  公开（公告）日：2012-11-29

  The present invention relates to a novel bicyclic heteroaryl derivative, a pharmaceutically acceptable salt thereof, a hydrate thereof, and a solvate thereof having an improved inhibitory activity for protein kinases, and a pharmaceutical composition for preventing or treating an abnormal cell growth disorder comprising same as an active ingredient.

  本发明涉及一种新颖的双环杂环芳基衍生物，其药用盐，水合物和溶剂合物，具有改进的蛋白激酶抑制活性，并且包括作为活性成分的药物组合物，用于预防或治疗异常细胞生长紊乱。
• [EN] GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS<br/>[FR] DÉRIVÉS DE GALACTOPYRANOSYLE UTILES EN TANT QUE MÉDICAMENTS
  申请人：UNIV GENT

  公开号：WO2014001204A1

  公开（公告）日：2014-01-03

  This invention relates to carbamate-containing or thiocarbamate-containing galacto-pyranosyl compounds useful as therapeutic agents and being represented by the structural formula (II), wherein: X is O or S, R is selected from the group consisting of C1-8 alkyl, C3-10 cycloalkyl, aryl-C1-4 alkyl, heterocyclyl-C1-4 alkyl, cycloalkyl-C1-4 alkyl, aryl and heterocyclyl, wherein R is optionally substituted with one or more R9; R2, R3, R4, R6 and R7 are independently selected from the group consisting of hydroxyl and protected hydroxyl groups; R5 is selected from the group consisting C6-30 alkyl and arylalkyl; R8 is C6-30 alkyl; and each R9 is independently selected from the group consisting of halogen, hydroxy, trifluoromethyl, trifluoromethoxy, C1-8 alkoxy, C1-6 alkyl, cyano, methylthio, phenyl, phenoxy, chloromethyl, dichloromethyl, chloro-difluoromethyl, acetyl, nitro, benzyl, heterocyclyl and di-C1-4 alkyl-amino, or a pharmaceutically acceptable salt thereof.

  这项发明涉及含有碳酸酯或硫代碳酸酯的半乳糖基化合物，可作为治疗剂，并由结构式（II）表示，其中：X为O或S，R从以下组中选择：C1-8烷基、C3-10环烷基、芳基-C1-4烷基、杂环基-C1-4烷基、环烷基-C1-4烷基、芳基和杂环基，其中R可选择性地被一个或多个R9取代；R2、R3、R4、R6和R7独立地选自羟基和保护羟基基团；R5选自C6-30烷基和芳基烷基；R8为C6-30烷基；每个R9独立地选自卤素、羟基、三氟甲基、三氟甲氧基、C1-8烷氧基、C1-6烷基、氰基、甲硫基、苯基、苯氧基、氯甲基、二氯甲基、氯二氟甲基、乙酰基、硝基、苄基、杂环基和二C1-4烷基氨基，或其药用可接受盐。
• 2-(3-Phenyl-2-piperazinyl-3,4-dihydroquinazolin-4-yl)acetic acids as antiviral agents, especially against cytomegaloviruses
  申请人：Wunberg Tobias

  公开号：US20070066622A1

  公开（公告）日：2007-03-22

  The invention relates to dihydroquinazolines and methods for the production thereof, the use thereof in the treatment and/or prophylaxis of diseases, in addition to the use thereof in the production of medicaments in the treatment and/or prophylaxis of diseases, especially for use as anti-viral agents, especially against cytomegalo viruses.

  该发明涉及二氢喹唑啉及其生产方法，以及其在治疗和/或预防疾病中的应用，此外还涉及其在生产治疗和/或预防疾病药物中的应用，特别是作为抗病毒剂的应用，尤其是针对巨细胞病毒。