3-溴-5-(三氟甲氧基)苯胺 | 914636-35-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-溴-5-(三氟甲氧基)苯胺
• 英文名称: 3-bromo-5-(trifluoromethoxy)aniline
• CAS: 914636-35-4
• 化学式: C₇H₅BrF₃NO
• 分子量: 256.022
• InChiKey: GJUHRBPRJGNGFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 海关编码：
  2922299090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P261,P301+P310,P305+P351+P338
• 危险品运输编号：
  2810
• 危险性描述：
  H301,H311,H332,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-溴-5-(三氟甲氧基)苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 dihydroxyborane 、 sodium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 120.0 ℃ 、1.6 MPa 条件下， 反应 1.0h， 生成 3-三氟甲氧基苯胺
  参考文献：
  名称：

  A Divergent SAR Study Allows Optimization of a Potent 5-HT_2c Inhibitor to a Promising Antimalarial Scaffold

  摘要：

  From the 13 533 chemical structures published by GlaxoSmithKline in 2010, we identified 47 quality starting points for lead optimization. One of the most promising hits was the TCMDC-139046, a molecule presenting an indoline core, which is well-known for its anxiolytic properties by interacting with serotonin antagonist receptors 5-HT2. The inhibition of this target will complicate the clinical development of these compounds as antimalarials. Herein, we present the antimalarial profile of this series and our efforts to avoid interaction with this receptor, while maintaining a good antiparasitic potency. By using a double-divergent structure-activity relationship analysis, we have obtained a novel lead compound harboring an indoline core.

  DOI：

  10.1021/ml300008j
• 作为产物：
  描述：

  3-Bromo-N-(diphenylmethylene)-5-(trifluoromethoxy)benzenamine 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 生成 3-溴-5-(三氟甲氧基)苯胺
  参考文献：
  名称：

  [EN] CHEMICAL COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS CHIMIQUES

  摘要：

  公开号：

  WO2009003999A3

文献信息

• [EN] INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES<br/>[FR] INHIBITEURS DE LA CYTOKININE OXYDASE DÉRIVÉS DE 1-[2-(HYDROXYALKYL)PHÉNYL]-3-YL-URÉE, LEUR UTILISATION ET PRÉPARATIONS CONTENANT CES DÉRIVÉS
  申请人：UNIV PALACKEHO

  公开号：WO2021185391A1

  公开（公告）日：2021-09-23

  The present invention relates to substituted 1-[2-(hydroxyalkyl)phenyl]-3-yl-urea derivatives of the general formula (I), which inhibit one of the key plant enzymes cytokinin oxidase/dehydrogenase (CKX); wherein R1 is hydrogen, halogen, methoxy group, trifluoromethoxy group, methylsulphanyl group or trifluoromethylsulphanyl group; R2 is hydrogen, halogen, amino group, (C1-C5) alkyl, (C2-C5) alkenyl, (C2-C5) alkynyl, or (C1-C5) alkylamino group, wherein (C1-C5) alkyl, (C2-C5) alkenyl, (C2-C5) alkynyl and (C-C5) alkylamino group is optionally substituted with hydroxy and/or amino group; and R3 and R4 are independently hydrogen or halogen, and wherein when X is nitrogen, then R2 is hydrogen or halogen. The invention further relates to the use of these substances in agriculture as stimulators of plant growth and development and as anti-stress factors and to the preparations containing these derivatives.

  本发明涉及通式（I）的取代1-[2-(羟基烷基)苯基]-3-基脲衍生物，其抑制植物关键酶细胞分裂素氧化酶/脱氢酶（CKX）之一；其中R1为氢、卤素、甲氧基、三氟甲氧基、甲基硫基或三氟甲基硫基；R2为氢、卤素、氨基、（C1-C5）烷基、（C2-C5）烯基、（C2-C5）炔基或（C1-C5）烷基氨基，其中（C1-C5）烷基、（C2-C5）烯基、（C2-C5）炔基和（C-C5）烷基氨基可以选择性地与羟基和/或氨基取代；R3和R4独立地为氢或卤素，当X为氮时，R2为氢或卤素。本发明还涉及这些物质在农业中作为植物生长和发育的刺激剂以及抗压因子的使用，以及含有这些衍生物的制剂。
• [EN] BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES<br/>[FR] INHIBITEURS À LARGE SPECTRE DE FILOVIRUS
  申请人：MICROBIOTIX INC

  公开号：WO2018106667A1

  公开（公告）日：2018-06-14

  The present invention is related to the development of therapeutics and prophylactics for the treatment and/or prevention of filovirus infection in humans and other mammals. A new class of small molecules is disclosed that inhibits the interaction of naturally processed (i.e., proteolytically cleaved) filovirus glycoprotein (GPCL) with its host receptor Niemann-Pick C 1 (NPCl) protein and thus block infection of host cells by filoviruses. Also disclosed are methods of using the small molecule inhibitors in the treatment/prevention of filovirus infection.

  本发明涉及开发用于治疗和/或预防人类和其他哺乳动物的Filovirus感染的治疗和预防剂。揭示了一类新的小分子，它抑制了自然加工（即蛋白酶水解）的Filovirus糖蛋白（GPCL）与其宿主受体Niemann-Pick C1（NPC1）蛋白的相互作用，从而阻止Filovirus感染宿主细胞。还揭示了在治疗/预防Filovirus感染中使用小分子抑制剂的方法。
• [EN] SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF<br/>[FR] DÉRIVÉS 1,3-DIPHÉNYLURÉE SUBSTITUÉS ET DÉRIVÉS 1-PHÉNYL-3-PYRIDYLURÉE POUR LA BIOTECHNOLOGIE VÉGÉTALE, PRÉPARATIONS CONTENANT CES COMPOSÉS ET LEUR UTILISATION
  申请人：USTAV EXPERIMENTALNI BOTANIKY AV CR V V I

  公开号：WO2022078533A1

  公开（公告）日：2022-04-21

  The present invention relates to substituted 1-phenyl-3-yl-urea derivatives of the general formula (I), and preparations containing these derivatives, (I) wherein Y is nitrogen or carbon; R1 is halogen, methoxy group, methylsulfanyl group, optionally the hydrogens of methoxy and methylsulfanyl group may be substituted by halogen, R2 and R4 are independently hydrogen, fluor, chlorine, bromine or methyl and R3 is hydrogen or R1, with the proviso that when Y is nitrogen, then R1 is halogen or methoxy group. The invention further relates to the use of 1-phenyl-3-yl-urea derivatives of the general formula (I) in plant biotechnologies for increasing the regeneration and viability of new plants, in particular in the production of useful plants, and to preparations containing these derivatives.

  本发明涉及通式（I）的取代1-苯基-3-基脲衍生物以及含有这些衍生物的制剂，其中Y为氮或碳；R1为卤素、甲氧基、甲基硫基，可选地，甲氧基和甲基硫基的氢可以被卤素取代，R2和R4分别为氢、氟、氯、溴或甲基，R3为氢或R1，但当Y为氮时，R1为卤素或甲氧基。本发明还涉及通式（I）的1-苯基-3-基脲衍生物在植物生物技术中的使用，用于增加新植物的再生和生存能力，特别是在有用植物的生产中，以及含有这些衍生物的制剂。
• Broad spectrum inhibitors of filoviruses
  申请人：Microbiotix, Inc.

  公开号：US11459308B2

  公开（公告）日：2022-10-04

  The present invention is related to the development of therapeutics and prophylactics for the treatment and/or prevention of filovirus infection in humans and other mammals. A new class of small molecules is disclosed that inhibits the interaction of naturally processed (i.e., proteolytically cleaved) filovirus glycoprotein (GPCL) with its host receptor Niemann-Pick C1 (NPC1) protein and thus block infection of host cells by filoviruses. Also disclosed are methods of using the small molecule inhibitors in the treatment/prevention of filovirus infection.

  本发明涉及治疗和/或预防人类和其他哺乳动物丝状病毒感染的治疗剂和预防剂的开发。本发明公开了一类新的小分子化合物，可抑制天然加工（即蛋白水解）的丝状病毒糖蛋白（GPCL）与其宿主受体 Niemann-Pick C1（NPC1）蛋白的相互作用，从而阻断丝状病毒对宿主细胞的感染。还公开了使用小分子抑制剂治疗/预防丝状病毒感染的方法。
• BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES
  申请人：Microbiotix, Inc.

  公开号：EP3548034A1

  公开（公告）日：2019-10-09