7-(Biphenyl-4-yloxy)-heptanoic acid methyl ester | 436150-83-3

• 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: 7-(Biphenyl-4-yloxy)-heptanoic acid methyl ester
• 英文别名: Methyl 7-(4-phenylphenoxy)heptanoate；methyl 7-(4-phenylphenoxy)heptanoate
• CAS: 436150-83-3
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: JABZMRPERJXLNB-UHFFFAOYSA-N

物化性质

• 沸点：
  441.3±38.0 °C(Predicted)
• 密度：
  1.049±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-(Biphenyl-4-yloxy)-heptanoic acid methyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 7-(Biphenyl-4-yloxy)-heptanoic acid methoxy-methyl-amide
  参考文献：
  名称：

  Heterocyclic ketones as inhibitors of histone deacetylase

  摘要：

  Several heterocyclic ketones were investigated as potential inhibitors of histone deacetylase. Nanomolar inhibitors such as 22 and 25 were obtained, the anti-proliferative activity of which were shown to be mediated by HDAC inhibition. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2003.09.007
• 作为产物：
  描述：

  7-溴庚酸甲酯 、 对羟基联苯 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以98%的产率得到7-(Biphenyl-4-yloxy)-heptanoic acid methyl ester
  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

• 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.
• α-Keto amides as inhibitors of histone deacetylase
  作者：Carol K. Wada、Robin R. Frey、Zhiqin Ji、Michael L. Curtin、Robert B. Garland、James H. Holms、Junling Li、Lori J. Pease、Jun Guo、Keith B. Glaser、Patrick A. Marcotte、Paul L. Richardson、Shannon S. Murphy、Jennifer J. Bouska、Paul Tapang、Terrance J. Magoc、Daniel H. Albert、Steven K. Davidsen、Michael R. Michaelides

  DOI：10.1016/s0960-894x(03)00685-1

  日期：2003.10

  alpha-Keto ester and amides were found to be potent inhibitors of historic deacetylase. Nanomolar inhibitors against the isolated enzyme and sub-micromolar inhibitors of cellular proliferation were obtained. The alpha-keto amide 30 also exhibited significant anti-tumor effects in an in vivo tumor model. (C) 2003 Elsevier Ltd. All rights reserved.
• [EN] COMPOSITION, FILM AND LIQUID CRYSTAL DISPLAY<br/>[FR] COMPOSITION, FILM ET AFFICHAGE A CRISTAUX LIQUIDES
  申请人：FUJIFILM CORP

  公开号：WO2007055417A1

  公开（公告）日：2007-05-18

  [EN] A novel composition is disclosed. The composition comprises, at least, a polymer material and inorganic fine particles having adsorbed thereto molecules having at least one adsorptive group to the inorganic fine particle and a group capable of forming a liquid crystal core. A film made of the composition is also disclosed.
  [FR] L'invention concerne une nouvelle composition. La composition comprend au moins un matériau polymérique et de fines particules inorganiques à la surface desquelles sont adsorbées des molécules ayant au moins un groupe adsorbant vis-à-vis des fines particules inorganiques et un groupe capable de former un coer de cristal liquide. L'invention concerne également un film fabriqué à partir de la composition.
• Heterocyclic ketones as inhibitors of histone deacetylase
  作者：Anil Vasudevan、Zhiqin Ji、Robin R. Frey、Carol K. Wada、Douglas Steinman、H.Robin Heyman、Yan Guo、Michael L. Curtin、Jun Guo、Junling Li、Lori Pease、Keith B. Glaser、Patrick A. Marcotte、Jennifer J. Bouska、Steven K. Davidsen、Michael R. Michaelides

  DOI：10.1016/j.bmcl.2003.09.007

  日期：2003.11

  Several heterocyclic ketones were investigated as potential inhibitors of histone deacetylase. Nanomolar inhibitors such as 22 and 25 were obtained, the anti-proliferative activity of which were shown to be mediated by HDAC inhibition. (C) 2003 Published by Elsevier Ltd.