8-(1,1'-biphenyl-4-yloxy)-2-(tetrahydro-2H-pyran-2-yloxy)octanenitrile | 436152-91-9

• 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)-2-(tetrahydro-2H-pyran-2-yloxy)octanenitrile
• 英文别名: 2-(oxan-2-yloxy)-8-(4-phenylphenoxy)octanenitrile
• CAS: 436152-91-9
• 化学式: C₂₅H₃₁NO₃
• 分子量: 393.526
• InChiKey: XGAMJWRCWNENBP-UHFFFAOYSA-N

物化性质

• 沸点：
  584.1±50.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  51.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(1,1'-biphenyl-4-yloxy)-2-(tetrahydro-2H-pyran-2-yloxy)octanenitrile 在 sodium azide 、 jones reagent 、 氯化铵 、 对甲苯磺酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 7-(1,1'-biphenyl-4-yloxy)-1-(2H-tetraazol-5-yl)heptan-1-one
  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-((1,1'-biphenyl)-4-yloxy)heptanal 在 对甲苯磺酸 、 sodium hydrogensulfite 作用下， 以 四氢呋喃 为溶剂， 生成 8-(1,1'-biphenyl-4-yloxy)-2-(tetrahydro-2H-pyran-2-yloxy)octanenitrile
  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

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.
• 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.