(S)-5-(biphenyl-4-ylmethyl)-11-phenyl-2,4,7,10-tetraoxaundecane | 1608463-86-0

• 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: (S)-5-(biphenyl-4-ylmethyl)-11-phenyl-2,4,7,10-tetraoxaundecane
• CAS: 1608463-86-0
• 化学式: C₂₆H₃₀O₄
• 分子量: 406.522
• InChiKey: YGFZIMGIMZAHGM-SANMLTNESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.12
• 重原子数：
  30.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (S)-5-(biphenyl-4-ylmethyl)-11-phenyl-2,4,7,10-tetraoxaundecane 在 盐酸 、 正丁基锂 、 copper(ll) sulfate pentahydrate 、 palladium 10% on activated carbon 、 四丁基氟化铵 、 氢气 、 三乙基苯基氯化铵 、 sodium ascorbate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 正己烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 76.88h， 生成 4-((4-((S)-3-(2-((S)-3-(biphenyl-4-yl)-2-hydroxypropoxy)ethoxy)-2-hydroxypropyl)-1H-1,2,3-triazol-1-yl)methyl)benzonitrile
  参考文献：
  名称：

  Biological evaluation of new mimetics of annonaceous acetogenins: Alteration of right scaffold by click linkage with aromatic functionalities

  摘要：

  A small library of analogues of annonaceous acetogenins through click linkage with aromatic moieties is established using a convergent modular fragment-assembly approach. These analogues exhibited low micromolar inhibitory activities against the proliferation of several human cancer cell lines. Structure-activity relationship (SAR) of these analogues indicates that replacement of the methoxy groups of ubiquinone ring with methyl groups is proved to be a useful strategy for improving the anticancer activity of quinone-acetogenin hybrids. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.03.062
• 作为产物：
  描述：

  (S)-2-((2-(benzyloxy)ethoxy)methyl)oxirane 在 magnesium 、 N,N-二异丙基乙胺 、 copper(I) bromide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 (S)-5-(biphenyl-4-ylmethyl)-11-phenyl-2,4,7,10-tetraoxaundecane
  参考文献：
  名称：

  Biological evaluation of new mimetics of annonaceous acetogenins: Alteration of right scaffold by click linkage with aromatic functionalities

  摘要：

  A small library of analogues of annonaceous acetogenins through click linkage with aromatic moieties is established using a convergent modular fragment-assembly approach. These analogues exhibited low micromolar inhibitory activities against the proliferation of several human cancer cell lines. Structure-activity relationship (SAR) of these analogues indicates that replacement of the methoxy groups of ubiquinone ring with methyl groups is proved to be a useful strategy for improving the anticancer activity of quinone-acetogenin hybrids. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.03.062