(4-fluoro-3-(trifluoromethoxy)phenyl)boronic acid | 881402-21-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (4-fluoro-3-(trifluoromethoxy)phenyl)boronic acid
• 英文别名: [4-fluoro-3-(trifluoromethoxy)phenyl]boronic acid
• CAS: 881402-21-7
• 化学式: C₇H₅BF₄O₃
• 分子量: 223.92
• InChiKey: UXYBDIZUDOJXRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-fluoro-3-(trifluoromethoxy)phenyl)boronic acid 在 吡啶 、 四(三苯基膦)钯 、 palladium bis[bis(diphenylphosphino)ferrocene] dichloride 、 氢溴酸 、 potassium acetate 、 copper diacetate 、 potassium carbonate 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 6-chloro-3-(4-(4-fluoro-3-(trifluoromethoxy)phenoxy)phenyl)-7-methoxy-2-methylquinolin-4(1H)-one
  参考文献：
  名称：

  Discovery, Synthesis, and Optimization of Antimalarial 4(1H)-Quinolone-3-Diarylethers

  摘要：

  The historical antimalarial compound endochin served as a structural lead for optimization. Endochin-like quinolones (ELQ) were prepared by a novel chemical route and assessed for in vitro activity against multidrug resistant strains of Plasmodium falciparum and against malaria infections in mice. Here we describe the pathway to discovery of a potent class of orally active antimalarial 4(1H)-quinolone-3-diarylethers. The initial prototype, ELQ-233, exhibited low nanomolar IC50 values against all tested strains including clinical isolates harboring resistance to atovaquone. ELQ-271 represented the next critical step in the iterative optimization process, as it was stable to metabolism and highly effective in vivo. Continued analoging revealed that the substitution pattern on the benzenoid ring of the quinolone core significantly influenced reactivity with the host enzyme. This finding led to the rational design of highly selective ELQs with outstanding oral efficacy against murine malaria that is superior to established antimalarials chloroquine and atovaquone.

  DOI：

  10.1021/jm500147k

文献信息

• [EN] PYRIDINE SULFONAMIDES<br/>[FR] SULFONAMIDES DE PYRIDINE
  申请人：AMGEN INC

  公开号：WO2018017896A1

  公开（公告）日：2018-01-25

  The present invention provides compounds of Formula (I), as defined in the specification, or pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav 1.7. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders, cough, or itch. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了如规范中定义的Formula (I)的化合物，或其药用可接受的盐，这些化合物是电压门控钠通道的抑制剂，特别是Nav 1.7。这些化合物对于治疗可通过抑制钠通道治疗的疾病如疼痛障碍、咳嗽或瘙痒是有用的。还提供了含有本发明化合物的药物组合物。
• 稠环化合物、混合物、组合物及有机电子器件
  申请人：广州华睿光电材料有限公司

  公开号：CN113549086B

  公开（公告）日：2022-08-12

  本发明提供一种稠环化合物、混合物、组合物及有机电子器件。按照本发明的稠环化合物具有优异的空穴传输性质及稳定性，用于制备有机电致发光器件时，可作为空穴注入层材料或空穴传输层掺杂剂用于空穴注入层或空穴传输层中，可提高电致发光效率，延长器件寿命，同时制得的有机电致发光器件可用低电压驱动。
• Inhibitors Of Beta-Secretase
  申请人：Dillard Lawrence W.

  公开号：US20110218192A1

  公开（公告）日：2011-09-08

  The present invention is directed to a compound represented by the following structural formula: or a pharmaceutically acceptable salt thereof. Pharmaceutical composition comprising a compound represented by Structural Formula (I) and method of use of these compound for inhibiting BACE activity in a subject in need of such treatment are also described.

  本发明涉及以下结构式所表示的化合物或其药学上可接受的盐。还描述了包含由结构式（I）所表示的化合物的药物组合物和使用这些化合物抑制需要此类治疗的受体中的BACE活性的方法。
• INHIBITORS OF BETA-SECRETASE
  申请人：Dillard Lawrence W.

  公开号：US20130317014A1

  公开（公告）日：2013-11-28

  The present invention is directed to a compound represented by the following structural formula: or a pharmaceutically acceptable salt thereof. Pharmaceutical composition comprising a compound represented by Structural Formula (I) and method of use of these compound for inhibiting BACE activity in a subject in need of such treatment are also described.

  本发明涉及以下结构式所代表的化合物：或其药学上可接受的盐。还描述了包括结构式（I）所代表的化合物的药物组合物以及使用这些化合物抑制需要此类治疗的受体中的BACE活性的方法。
• Inhibitors of beta-secretase
  申请人：Dillard Lawrence W.

  公开号：US08921359B2

  公开（公告）日：2014-12-30

  The present invention is directed to a compound represented by the following structural formula: or a pharmaceutically acceptable salt thereof. Pharmaceutical composition comprising a compound represented by Structural Formula (I) and method of use of these compound for inhibiting BACE activity in a subject in need of such treatment are also described.

  本发明涉及以下结构式所表示的化合物或其药学上可接受的盐。还描述了包含结构式（I）所表示的化合物的药物组合物以及使用这些化合物抑制需要该治疗的受体中的BACE活性的方法。