1-(2-溴乙氧基)-4-(三氟甲氧基)苯 | 102793-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(2-溴乙氧基)-4-(三氟甲氧基)苯
• 英文名称: 1-(2-bromoethoxy)-4-(trifluoromethoxy)benzene
• CAS: 102793-81-7
• 化学式: C₉H₈BrF₃O₂
• 分子量: 285.061
• InChiKey: QESONWISJWXHAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-溴乙氧基)-4-(三氟甲氧基)苯 在 二(三叔丁基膦)钯 、 potassium trimethylsilonate 、 sodium hydride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 7.0h， 生成 4-(2-fluoropyridin-4-yl)-1-{2-[4-(trifluoromethoxy)phenoxy]ethyl}-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid potassium salt
  参考文献：
  名称：

  [EN] TrkA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF
  [FR] INHIBITEURS DE LA KINASE TRKA, COMPOSITIONS EN CONTENANT ET MÉTHODES ASSOCIÉES

  摘要：

  本发明涉及式I和la化合物，它们是原肌球蛋白相关激酶（Trk）家族蛋白激酶抑制剂，因此可用于治疗疼痛、炎症、癌症、再狭窄、动脉粥样硬化、银屑病、血栓形成、与脱髓鞘或髓鞘形成障碍相关的疾病、紊乱、损伤或功能障碍，或与神经生长因子（NGF）受体TrkA异常活性相关的疾病或紊乱。

  公开号：

  WO2013009582A1
• 作为产物：
  描述：

  对三氟甲氧基苯酚 生成 1-(2-溴乙氧基)-4-(三氟甲氧基)苯
  参考文献：
  名称：

  Novel cyclic amide derivatives

  摘要：

  以下公式（I）表示的新化合物作为sigma受体/结合位点的配体，并包括作为活性成分的药物： 其中X代表烷基、芳基、杂环基或类似基团；Q代表由—CH 2 —、—CO—、—O—、—CH(OR 7 )—或类似基团表示的基团，其中R 7 代表氢原子、烷基或类似基团；n代表从0到5的整数；R 1 和R 2 各自代表氢原子、烷基或类似基团；B代表以下任一基团： 其中R 3 、R 4 、R 5 和R 6 各自代表氢原子、卤素原子、烷氧基或类似基团；m代表1或2；以及： 代表芳香杂环环。

  公开号：

  US20030212094A1

文献信息

• Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I)
  作者：Xiaoke Guo、Xianglei Ma、Qian Yang、Jing Xu、Lu Huang、Jianmin Jia、Jiaojiao Shan、Li Liu、Weilin Chen、Hongxi Chu、Jinlian Wei、Xiaojin Zhang、Haopeng Sun、Yiqun Tang、Qidong You

  DOI：10.1016/j.ejmech.2014.03.075

  日期：2014.6

  and safe therapeutic target for the treatment of atrial fibrillation (AF), the most common arrhythmia that threatens human. Herein, by modifying the hit compound 7k from an in-house database, 48 derivatives were synthesized for the assay of their Kv1.5 inhibitory effects by whole cell patch clamp technique. Six compounds which showed better potency than the positive compound dronedarone were selected

  Kv1.5钾通道是一种治疗房颤（AF）的有效且安全的治疗靶标，它是威胁人类的最常见心律不齐。本文中，通过从内部数据库中修改命中化合物7k，合成了48种衍生物，以通过全细胞膜片钳技术测定其Kv1.5抑制作用。选择了六种显示出比阳性化合物决奈达隆更好的效价的化合物用于其类药物性质的下一个评估。化合物8显示出平衡的溶解度和渗透性。它还显示出可接受的药效学特征，急性毒性非常低。考虑到所有这些数据，化合物8 可以作为开发用于治疗AF的新型治疗剂的有希望的先导。
• [EN] 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS 2-AMINO-BENZIMIDAZOLE ET LEUR UTILISATION COMME INHIBITEURS DE 5-LIPOXYGÉNASE ET/OU DE PROSTAGLANDINE E SYNTHASE
  申请人：PASTEUR INSTITUT KOREA

  公开号：WO2016016421A1

  公开（公告）日：2016-02-04

  The present invention relates to benzimidazole derivatives having the general formula I, wherein n is 0 or 1; X1 and X2 are independently, at each occurrence, CR5 or N; Y is C1-C6 alkylene, wherein alkylene is optionally substituted with one to two C1-C3 alkyl groups; R1 is selected from the group consisting of hydrogen, halogen, C1-C6 alkoxy, -NH2, -NHR6, -NR7R8 and -NH-(R9)n-R10, n being 0 or 1; R2 is selected from the group consisting of hydrogen, halogen, C1-C6 alkyl, -NH2, -NHR6, - NR7R8 and -NH-(R9)n-R10; R3 is selected from the group consisting of hydrogen, hydroxyl, OR11, -NR7R8, C1-C6 alkoxy, C1-C6 alkyl, C3-C10 cycloalkyl, C1-C3 haloalkyl, -C(O)NHR11, aryl, heteroaryl and heterocyclyl, wherein each of said cycloalkyl, aryl, heteroaryl and heterocyclyl is optionally and independently substituted with one to four Ra groups; and R4 is selected from the group consisting of -NH2, -N(R12)(V)pR13, - NH(V)p-OR14, -NHC(O)R15, and groups of formula la shown below, and their use in the treatment of diseases, in particular inflammatory diseases, cancer, stroke and/or Alzheimer's disease.

  本发明涉及具有通式I的苯并咪唑衍生物，其中n为0或1；X1和X2在每次出现时独立地为CR5或N；Y为C1-C6烷基，其中烷基可以选择性地用一到两个C1-C3烷基取代；R1从氢、卤素、C1-C6烷氧基、-NH2、-NHR6、-NR7R8和-NH-(R9)n-R10的群中选择，其中n为0或1；R2从氢、卤素、C1-C6烷基、-NH2、-NHR6、-NR7R8和-NH-(R9)n-R10的群中选择；R3从氢、羟基、OR11、-NR7R8、C1-C6烷氧基、C1-C6烷基、C3-C10环烷基、C1-C3卤代烷基、-C(O)NHR11、芳基、杂芳基和杂环烷基的群中选择，其中所述的每个环烷基、芳基、杂芳基和杂环烷基可以选择性且独立地用一到四个Ra基取代；R4从-NH2、-N(R12)(V)pR13、-NH(V)p-OR14、-NHC(O)R15和下面所示的通式la的基中选择，并且它们在治疗疾病，特别是炎症性疾病、癌症、中风和/或阿尔茨海默病中的用途。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US07262212B2

  公开（公告）日：2007-08-28

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group —OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and —(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供一种由以下通式表示的2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物：其中R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表-OR3基团或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或R1和-(CH2)nR2可以与相邻的碳原子通过氮原子结合在一起，形成由通式（H）表示的螺环：其中R41是氢、C1-C6烷基或类似基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速菌具有优异的杀菌作用。
• Spirocyclic ketones and their use as tachykinin antagonists
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06372754B1

  公开（公告）日：2002-04-16

  The present invention relates compounds of the formula (I): wherein R1, R2, R3, R4 and R5 represent a variety of substituents; R6 represents hydrogen, CORa, CO2Ra, COCONRaRb, COCO2Ra, C1-6alkyl optionally substituted by a group selected from (CO2Ra, CONRaRb, hydroxy, CN, CORa, NRaRb, C(NOH)NRaRb, CONHphenyl(C1-4alkyl), COCO2Ra, CONHNRaRb, C(S)NRaRb, CONRaC1-6alkylR12, CONR13C2-6alkenyl, CONR13C2-6alkynyl, COCONRaRb, CONRaC(NRb)NRaRb, CONRaheteroaryl, and phenyl optionally substituted by one, two or three substituents selected from C1-6alky, C1-6alkoxy, halogen and trifluoromethyl); or R6 represents a group of formula —CH2C≡CCH2NR7R8 where R7 and R8 are as defined below; or R6 represents C1-6alkyl, optionally substituted by oxo, substituted by a 5-membered or 6-membered heterocyclic ring containing 1, 2 or 3 nitrogen atoms optionally substituted by ═O or ═S and optionally substituted by a group of the formula ZNR7R8; or a pharmaceutical acceptable salt thereof. The compounds are tachykinin antagonists and are of particular use in the treatment or prevention of depression, anxiety, pain, inflammation, migraine, emesis or postherpic neuralgia.

  本发明涉及式（I）的化合物：其中R1，R2，R3，R4和R5代表各种取代基; R6代表氢，CORa，CO2Ra，COCONRaRb，COCO2Ra，C1-6烷基（可选地被选择自（CO2Ra，CONRaRb，羟基，CN，CORa，NRaRb，C（NOH）NRaRb，CONH苯基（C1-4烷基），COCO2Ra，CONHNRaRb，C（S）NRaRb，CONRaC1-6烷基R12，CONR13C2-6烯基，CONR13C2-6炔基，COCONRaRb，CONRaC（NRb）NRaRb，CONRaheteroaryl和苯基（可选地被选择自一个，两个或三个取代基，所述取代基选择自C1-6烷基，C1-6烷氧基，卤素和三氟甲基）; 或R6代表式的基团-CH2C≡CCH2NR7R8，其中R7和R8如下所定义; 或R6代表C1-6烷基，可选地被氧代取代，被含有1、2或3个氮原子的5元或6元杂环环取代，所述杂环环可选地被═O或═S取代，且可选地被ZNR7R8的式的基团取代; 或其药学上可接受的盐。这些化合物是缓激肽拮抗剂，特别适用于治疗或预防抑郁症、焦虑症、疼痛、炎症、偏头痛、呕吐或带状疱疹后神经痛。