3-(1,1,2,2-四氟乙氧基)溴苯 | 527751-45-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(1,1,2,2-四氟乙氧基)溴苯
• 中文别名: 1-溴-3-(1,1,2,2-四氟乙氧基)苯
• 英文名称: 1-bromo-3-(1,1,2,2-tetrafluoro-ethoxy)-benzene
• 英文别名: 1-Bromo-3-(1,1,2,2-tetrafluoroethoxy)benzene
• CAS: 527751-45-7
• 化学式: C₈H₅BrF₄O
• 分子量: 273.025
• InChiKey: ALQQXORYKLCHJY-UHFFFAOYSA-N

物化性质

• 沸点：
  192℃
• 密度：
  1.6187
• 闪点：
  94℃

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  3-(1,1,2,2-四氟乙氧基)溴苯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 硼烷四氢呋喃络合物 、 potassium carbonate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 54.0h， 生成
  参考文献：
  名称：

  Discovery of Novel Indoline Cholesterol Ester Transfer Protein Inhibitors (CETP) through a Structure-Guided Approach

  摘要：

  Using the collective body of known (CETP) inhibitors as inspiration for design, a structurally novel series of tetrahydroquinoxaline CETP inhibitors were discovered. An exemplar from this series, compound 5, displayed potent in vitro CETP inhibition and was efficacious in a transgenic cynomologus-CETP mouse HDL PD (pharinacodynamic) assay. However, an undesirable metabolic profile and chemical instability hampered further development of the series. A three-dimensional structure of tetrahydroquinoxaline inhibitor 6 was proposed from H-1 NMR structural studies, and this model was then used in silico for the design of a new class of compounds based upon an indoline scaffold. This work resulted in the discovery of compound 7, which displayed potent in vitro CETP inhibition, a favorable PK-PD profile relative to tetrahydroquinoxaline 5, and dose-dependent efficacy in the transgenic cynomologus-CETP mouse HDL PD assay.

  DOI：

  10.1021/acsmedchemlett.5b00404

文献信息

• 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS
  申请人：Rano Thomas

  公开号：US20070265304A1

  公开（公告）日：2007-11-15

  The invention is directed to compounds of Formula (I) described herein useful as CETP inhibitors, compositions containing them, and methods of using them.

  该发明涉及本文描述的化合物，其化学式为（I），可用作CETP抑制剂，包含它们的组合物，以及使用它们的方法。
• Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors
  申请人：AMEGEN INC.

  公开号：US20160214971A1

  公开（公告）日：2016-07-28

  The present invention provides compounds of Formula (Ia), and pharmaceutically acceptable salts thereof. The compounds are useful as inhibitors of voltage-gated sodium channels, in particular Nav 1.7. as described in the specification. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention, as well as intermediates and processes useful for making the compounds.

  本发明提供了公式（Ia）的化合物及其药学上可接受的盐。这些化合物可用作电压门控钠通道的抑制剂，特别是Nav 1.7，如规范中所述。这些化合物可用于治疗可通过抑制钠通道治疗的疾病，例如疼痛障碍。还提供了含有本发明化合物的制药组合物，以及制造这些化合物的中间体和工艺。
• Diphenylpyridylethanamine (DPPE) Derivatives as Cholesteryl Ester Transfer Protein (CETP) Inhibitors
  作者：Lalgudi S. Harikrishnan、Heather J. Finlay、Jennifer X. Qiao、Muthoni G. Kamau、Ji Jiang、Tammy C. Wang、James Li、Christopher B. Cooper、Michael A. Poss、Leonard P. Adam、David S. Taylor、Alice Ye A. Chen、Xiaohong Yin、Paul G. Sleph、Richard Z. Yang、Doree F. Sitkoff、Michael A. Galella、David S. Nirschl、Katy Van Kirk、Arthur V. Miller、Christine S. Huang、Ming Chang、Xue-Qing Chen、Mark E. Salvati、Ruth R. Wexler、R. Michael Lawrence

  DOI：10.1021/jm300611v

  日期：2012.7.12

  A series of diphenylpyridylethanamine (DPPE) derivatives was identified exhibiting potent CETP inhibition. Replacing the labile ester functionality in the initial lead 7 generated a series of amides and ureas. Further optimization of the DPPE series for potency resulted in the discovery of cyclopentylurea 15d, which demonstrated a reduction in cholesterol ester transfer activity (48% of predose level) in hCETP/apoB-100 dual transgenic mice. The PK profile of 15d was suboptimal, and further optimization of the N-terminus resulted in the discovery of amide 20 with an improved PK profile and robust efficacy in transgenic hCETP/apoB-100 mice and in hamsters. Compound 20 demonstrated no significant changes in either mean arterial blood pressure or heart rate in telemeterized rats despite sustained high exposures.
• US7928238B2
  申请人：——

  公开号：US7928238B2

  公开（公告）日：2011-04-19
• US9663508B2
  申请人：——

  公开号：US9663508B2

  公开（公告）日：2017-05-30