8-((1,1'-biphenyl)-4-yloxy)-1,1,1-trifluoro-2-octanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 8-((1,1'-biphenyl)-4-yloxy)-1,1,1-trifluoro-2-octanone
• 英文别名: 1,1,1-Trifluoro-8-(4-biphenylyloxy)-2-octanone；1,1,1-trifluoro-8-(4-phenylphenoxy)octan-2-one
• 化学式: C₂₀H₂₁F₃O₂
• 分子量: 350.381
• InChiKey: LRVOZKXSFOOZRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-溴庚酸甲酯 在 lithium hydroxide 、 caesium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 8-((1,1'-biphenyl)-4-yloxy)-1,1,1-trifluoro-2-octanone
  参考文献：
  名称：

  Trifluoromethyl ketones as inhibitors of histone deacetylase

  摘要：

  Trifluoromethyl ketones were found to be inhibitors of histone deacetylases (HDACs). Optimization of this series led to the identification of submicromolar inhibitors Such as 20 that demonstrated antiproliferative effects against the HT1080 and MDA 435 cell lines. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00754-0

文献信息

• Inhibitors of histone deacetylase
  申请人：——

  公开号：US20020177594A1

  公开（公告）日：2002-11-28

  Compounds having the formula 1 or therapeutically acceptable salts thereof, are histone deacetylase (HDAC) inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.

  具有以下化学式的化合物或其治疗上可接受的盐是组蛋白去乙酰化酶（HDAC）抑制剂。本文揭示了该化合物的制备、含有该化合物的组合物以及使用该化合物治疗疾病的方法。
• [EN] INHIBITORS OF HISTONE DEACETYLASE<br/>[FR] INHIBITEURS DE L'HISTONE DEACETYLASE
  申请人：ABBOTT LAB

  公开号：WO2002046129A2

  公开（公告）日：2002-06-13

  Compounds having the formula or therapeutically acceptable salts thereof, are histone deacetylase (HDAC) inhibitors. Preparation of the compounds, compositions containing the compounds, and treatment of diseases using the compounds are disclosed.
• Trifluoromethyl ketones as inhibitors of histone deacetylase
  作者：Robin R. Frey、Carol K. Wada、Robert B. Garland、Michael L. Curtin、Michael R. Michaelides、Junling Li、Lori J. Pease、Keith B. Glaser、Patrick A. Marcotte、Jennifer J. Bouska、Shannon S. Murphy、Steven K. Davidsen

  DOI：10.1016/s0960-894x(02)00754-0

  日期：2002.12

  Trifluoromethyl ketones were found to be inhibitors of histone deacetylases (HDACs). Optimization of this series led to the identification of submicromolar inhibitors Such as 20 that demonstrated antiproliferative effects against the HT1080 and MDA 435 cell lines. (C) 2002 Elsevier Science Ltd. All rights reserved.