(E)-1-(1,4-Dioxa-spiro[4.5]dec-7-yl)-7-[4-(trityl-amino)-phenyl]-hept-1-en-3-ol | 279669-90-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (E)-1-(1,4-Dioxa-spiro[4.5]dec-7-yl)-7-[4-(trityl-amino)-phenyl]-hept-1-en-3-ol
• CAS: 279669-90-8
• 化学式: C₄₀H₄₅NO₃
• 分子量: 587.802
• InChiKey: DGHAGLADUGJSPQ-SOYKGTTHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.65
• 重原子数：
  44.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  50.72
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (E)-1-(1,4-Dioxa-spiro[4.5]dec-7-yl)-7-[4-(trityl-amino)-phenyl]-hept-1-en-3-ol 在 盐酸 、 sodium azide 、 chloroamine-T 、 sodium iodide 、 sodium nitrite 作用下， 以 四氢呋喃 、 盐酸 、 甲醇 、 溶剂黄146 为溶剂， 生成 3-[(E)-7-(4-Azido-3-iodo-phenyl)-3-hydroxy-hept-1-enyl]-cyclohexanone
  参考文献：
  名称：

  Leukotriene B 4 photoaffinity probes: design, synthesis and evaluation of new arylazide-1,3-disubstituted cyclohexanes

  摘要：

  The synthesis and the binding affinities of new leukotriene Bq receptor photoaffinity probes, where a 1,3-disubstitued cyclohexane ring replaces the conjugated Delta(6.7) and Delta(8.9) double bonds of the natural eicosanoid, are described. One enantiomeric componnd, 4b alpha, is specifically cross-linked upon photolysis to the recombinant leukotriene Bq receptor from human origin (h-BLTR) solubilized in a micellar medium. This probe appears as a good candidate for identifying the ligand binding site of this receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00103-7
• 作为产物：
  描述：

  1,4-dioxa-spiro[4.5]decane-7-carbaldehyde 在 sodium tetrahydroborate 、 cerium(III) chloride 、 sodium hydride 作用下， 以 甲醇 为溶剂， 生成 (E)-1-(1,4-Dioxa-spiro[4.5]dec-7-yl)-7-[4-(trityl-amino)-phenyl]-hept-1-en-3-ol
  参考文献：
  名称：

  Leukotriene B 4 photoaffinity probes: design, synthesis and evaluation of new arylazide-1,3-disubstituted cyclohexanes

  摘要：

  The synthesis and the binding affinities of new leukotriene Bq receptor photoaffinity probes, where a 1,3-disubstitued cyclohexane ring replaces the conjugated Delta(6.7) and Delta(8.9) double bonds of the natural eicosanoid, are described. One enantiomeric componnd, 4b alpha, is specifically cross-linked upon photolysis to the recombinant leukotriene Bq receptor from human origin (h-BLTR) solubilized in a micellar medium. This probe appears as a good candidate for identifying the ligand binding site of this receptor. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00103-7