4,4'-Dihydroxy-dibutylaether-bis-methansulfonat | 35412-78-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 4,4'-Dihydroxy-dibutylaether-bis-methansulfonat
• 英文别名: dibutylene glycol bis-mesylate；4-(4-Methylsulfonyloxybutoxy)butyl methanesulfonate；4-(4-methylsulfonyloxybutoxy)butyl methanesulfonate
• CAS: 35412-78-3
• 化学式: C₁₀H₂₂O₇S₂
• 分子量: 318.412
• InChiKey: AMKCINGTRSVRJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4,4'-Dihydroxy-dibutylaether-bis-methansulfonat 、 4-碘苯酚 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 20.0h， 以223 mg的产率得到4,4'-((oxybis(butane-4,1-diyl))bis(oxy))bis(iodobenzene)
  参考文献：
  名称：

  Steroidal bivalent ligands for the estrogen receptor: Design, synthesis, characterization and binding affinities

  摘要：

  Steroidal bivalent ligands for the estrogen receptor (ER) were designed using crystal structures of ER alpha dimers as a template. The syntheses of several 17 alpha-ethynylestradiol-based bivalent ligands with varying linker compositions and lengths are described. The binding affinities of these bivalent ligands for ERa and ER beta were determined. In the two series of bivalent ligands that we synthesized, there is a clear correlation between linker length and binding affinity, both of which reach a maximum at the same tether length. Further studies are underway to explore aspects of bivalent ligand and control compound binding to the ERs and their effects on ER dimer formation; these results will be reported in a subsequent publication. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.04.016
• 作为产物：
  描述：

  4,4'-氧基双(丁-1-醇) 、 甲基磺酰氯 生成 4,4'-Dihydroxy-dibutylaether-bis-methansulfonat
  参考文献：
  名称：

  Sieber,G., Justus Liebigs Annalen der Chemie, 1960, vol. 631, p. 180 - 184

  摘要：

  DOI：

文献信息

• Sieber,G., Justus Liebigs Annalen der Chemie, 1960, vol. 631, p. 180 - 184
  作者：Sieber,G.

  DOI：——

  日期：——
• Steroidal bivalent ligands for the estrogen receptor: Design, synthesis, characterization and binding affinities
  作者：Andrew L. LaFrate、Kathryn E. Carlson、John A. Katzenellenbogen

  DOI：10.1016/j.bmc.2009.04.016

  日期：2009.5

  Steroidal bivalent ligands for the estrogen receptor (ER) were designed using crystal structures of ER alpha dimers as a template. The syntheses of several 17 alpha-ethynylestradiol-based bivalent ligands with varying linker compositions and lengths are described. The binding affinities of these bivalent ligands for ERa and ER beta were determined. In the two series of bivalent ligands that we synthesized, there is a clear correlation between linker length and binding affinity, both of which reach a maximum at the same tether length. Further studies are underway to explore aspects of bivalent ligand and control compound binding to the ERs and their effects on ER dimer formation; these results will be reported in a subsequent publication. (C) 2009 Elsevier Ltd. All rights reserved.