6-[(trifluoromethyl)oxy]-2H-1,4-benzoxazin-3(4H)-one | 192647-89-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 6-[(trifluoromethyl)oxy]-2H-1,4-benzoxazin-3(4H)-one
• 英文别名: 6-(trifluoromethoxy)-2H-1,4-benzoxazin-3(4H)-one；6-(trifluoromethoxy)-4H-1,4-benzoxazin-3-one
• CAS: 192647-89-5
• 化学式: C₉H₆F₃NO₃
• 分子量: 233.147
• InChiKey: QCGVWLLLRGUTDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-[(trifluoromethyl)oxy]-2H-1,4-benzoxazin-3(4H)-one 在 sodium hydride 、 三氟乙酸 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-[2-(4-Aminopiperidin-1-yl)ethyl]-6-(trifluoromethoxy)-2H-1,4-benzoxazin-3(4H)-one
  参考文献：
  名称：

  Exploring Left-Hand-Side substitutions in the benzoxazinone series of 4-amino-piperidine bacterial type IIa topoisomerase inhibitors

  摘要：

  An SAR survey at the C-6 benzoxazinone position of a novel scaffold which inhibits bacterial type IIa topoisomerase demonstrates that a range of small electron donating groups (EDG) and electron withdrawing groups (EWG) are tolerated for antibacterial activity. Cyano was identified as a preferred substituent that affords good antibacterial potency while minimizing hERG cardiac channel activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.126
• 作为产物：
  描述：

  2-硝基-4-(三氟甲氧基)苯酚 在 铁粉 、 caesium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 6-[(trifluoromethyl)oxy]-2H-1,4-benzoxazin-3(4H)-one
  参考文献：
  名称：

  Exploring Left-Hand-Side substitutions in the benzoxazinone series of 4-amino-piperidine bacterial type IIa topoisomerase inhibitors

  摘要：

  An SAR survey at the C-6 benzoxazinone position of a novel scaffold which inhibits bacterial type IIa topoisomerase demonstrates that a range of small electron donating groups (EDG) and electron withdrawing groups (EWG) are tolerated for antibacterial activity. Cyano was identified as a preferred substituent that affords good antibacterial potency while minimizing hERG cardiac channel activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.126

文献信息

• MORPHOLINYL AND PYRROLIDINYL ANALOGS
  申请人：Goodman Krista B.

  公开号：US20080021023A1

  公开（公告）日：2008-01-24

  The present invention relates to morpholinyl, and pyrrolidinyl analogs, pharmaceutical compositions containing them, and their use as antagonists of urotensin II.

  本发明涉及吗吗啉基和吡咯啉基类似物，含有它们的药物组合物，以及它们作为尿苷II拮抗剂的用途。
• Morpholinyl and pyrrolidinyl analogs
  申请人：GlaxoSmithKline LLC

  公开号：US07749998B2

  公开（公告）日：2010-07-06

  The present invention relates to morpholinyl, and pyrrolidinyl analogs, pharmaceutical compositions containing them, and their use as antagonists of urotensin II.

  本发明涉及吗啡啶基和吡咯烷基类似物，含有它们的制药组合物，以及它们作为尿加压素II拮抗剂的用途。
• COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS
  申请人：Breault Gloria

  公开号：US20110092495A1

  公开（公告）日：2011-04-21

  The present invention relates to compounds that demonstrate antibacterial activity, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans. In particular this invention relates to compounds useful for the treatment of bacterial infections in warm-blooded animals such as humans, more particularly to the use of these compounds in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans.

  本发明涉及表现出抗菌活性的化合物，其制备过程，含有它们作为活性成分的制药组合物，它们作为药物的使用以及它们在制造用于治疗温血动物（如人类）细菌感染的药物中的使用。特别是本发明涉及用于治疗温血动物（如人类）细菌感染的有用化合物，更具体地涉及这些化合物在制造用于治疗温血动物（如人类）细菌感染的药物中的使用。
• N-PHENYLCARBAMATE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDES
  申请人：Ube Industries, Ltd.

  公开号：EP0913395A1

  公开（公告）日：1999-05-06

  This invention relates to An N-phenyl carbamate compound which is represented by the following formula (1): wherein R1 represents a hydrogen atom, an alkoxyalkyl group having 2 to 5 carbon atoms, an alkynyl group having 2 to 5 carbon atoms, an alkyl group having 1 to 4 carbon atoms, an alkenyl group having 2 to 5 carbon atoms, CO2R6 or an alkoxy group having 1 to 4 carbon atoms; where R6 represents an alkyl group having 1 to 4 carbon atoms; R2 represents an alkyl group having 1 to 4 carbon atoms; R3 and R4 each independently represent a hydrogen atom or an alkyl group having 1 to 4 carbon atoms; R5 represents a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a haloalkyl group having 1 to 4 carbon atoms, a halogen atom, an alkylcarbonyl group having 2 to 5 carbon atoms, a phenyl group, an alkoxycarbonyl group having 2 to 5 carbon atoms, an alkylsulfonyl group having 1 to 4 carbon atoms, a nitro group, a cyano group, a benzyloxycarbonyl group or a haloalkoxy group having 1 to 4 carbon atoms; X represents O or S; and n represents 1, 2 or 3; a process for producing the same and an agricultural or horticultural fungicide containing the compound as an effective ingredient.

  本发明涉及一种由下式（1）表示的 N-苯基氨基甲酸酯化合物： 其中 R1 代表氢原子、具有 2 至 5 个碳原子的烷氧基、具有 2 至 5 个碳原子的炔基、具有 1 至 4 个碳原子的烷基、具有 2 至 5 个碳原子的烯基、CO2R6 或具有 1 至 4 个碳原子的烷氧基； 其中 R6 代表具有 1 至 4 个碳原子的烷基； R2 代表具有 1 至 4 个碳原子的烷基； R3 和 R4 各自独立地代表氢原子或具有 1 至 4 个碳原子的烷基； R5 代表氢原子、具有 1 至 8 个碳原子的烷基、具有 1 至 4 个碳原子的卤代烷基、卤素原子、具有 2 至 5 个碳原子的烷基羰基、苯基、具有 2 至 5 个碳原子的烷氧羰基、具有 1 至 4 个碳原子的烷磺酰基、硝基、氰基、苄氧羰基或具有 1 至 4 个碳原子的卤代烷氧基； X 代表 O 或 S；以及 n 代表 1、2 或 3； 一种生产该化合物的工艺，以及一种含有该化合物作为有效成分的农用或园艺杀真菌剂。
• Compounds for the treatment of multi-drug resistant bacterial infections
  申请人：AstraZeneca AB

  公开号：EP2289890A1

  公开（公告）日：2011-03-02

  The present invention relates to compounds that demonstrate antibacterial activity, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans. In particular this invention relates to compounds useful for the treatment of bacterial infections in warm-blooded animals such as humans, more particularly to the use of these compounds in the manufacture of medicaments for use in the treatment of bacterial infections in warm-blooded animals such as humans.

  本发明涉及具有抗菌活性的化合物、制备这些化合物的工艺、含有这些化合物作为活性成分的药物组合物、这些化合物作为药物的用途以及这些化合物在制造用于治疗温血动物（如人类）细菌感染的药物中的用途。特别是本发明涉及用于治疗温血动物（如人类）细菌感染的化合物，尤其是涉及这些化合物在制造用于治疗温血动物（如人类）细菌感染的药物中的用途。