hexapropylene glycol bis-mesylate | 55333-57-8

• 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: hexapropylene glycol bis-mesylate
• 英文别名: 3-[3-[3-[3-[3-(3-methylsulfonyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propyl methanesulfonate
• CAS: 55333-57-8
• 化学式: C₂₀H₄₂O₁₁S₂
• 分子量: 522.679
• InChiKey: VYOSUKMMYZGODF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  33.0
• 可旋转键数：
  26.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  132.89
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  4-碘苯酚 、 hexapropylene glycol bis-mesylate 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 20.0h， 以63%的产率得到
  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：

  hexapropyleneglycol 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到hexapropylene glycol bis-mesylate
  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

文献信息

• NEWMAN M. S; BARBEE JR. T. G.; BLAKESLEY C. N.; DIN Z. UD; GROMELSKI JR. +, J. ORG. CHEM. <JOCE-AH>, 1975, 40, NO 20, 2863-2870
  作者：NEWMAN M. S、 BARBEE JR. T. G.、 BLAKESLEY C. N.、 DIN Z. UD、 GROMELSKI JR. +

  DOI：——

  日期：——