[4-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylphosphonic acid | 1310568-63-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylphosphonic acid
• 英文别名: [4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylphosphonic acid
• CAS: 1310568-63-8
• 化学式: C₄₁H₇₇O₂₂P
• 分子量: 953.023
• InChiKey: GKFXVVBUZDZTKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  64
• 可旋转键数：
  52
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  250
• 氢给体数：
  3
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  2,5,8,11-四氧杂十三烷-13-基4-甲基苯磺酸酯 在 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 四(三苯基膦)钯 、 三甲基溴硅烷 、 三溴化磷 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 55.0h， 生成 [4-[2-[2-[2-[2-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]methylphosphonic acid
  参考文献：
  名称：

  Synthesis of Patent Blue derivatized hydrophilic dendrons dedicated to sentinel node detection in breast cancer

  摘要：

  In the last decade, methods for the precise localization of sentinel lymph node (SLN) have drawn tremendous attention by oncology surgeons and researchers in the field of medical diagnosis. The accurate identification and characterization of lymph nodes by imaging has important therapeutic and prognostic significance in patients with newly diagnosed cancers. The SLN is the first lymph node that receives lymphatic drainage from the site of a primary tumor. Two biocompatible dendronized phosphonates, one bearing a Patent Blue (PB VF) dye at its periphery, where synthesized. Indeed, such a blue dye is currently injected to label the lymph node system for its per-operative detection. Therefore, developing chemistry of Patent Blue VF to optimize early diagnosis is of great current interest. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.144

文献信息

• Synthesis of Patent Blue derivatized hydrophilic dendrons dedicated to sentinel node detection in breast cancer
  作者：Marie Kueny-Stotz、Hind Mamlouk-Chaouachi、Delphine Felder-Flesch

  DOI：10.1016/j.tetlet.2011.03.144

  日期：2011.6

  In the last decade, methods for the precise localization of sentinel lymph node (SLN) have drawn tremendous attention by oncology surgeons and researchers in the field of medical diagnosis. The accurate identification and characterization of lymph nodes by imaging has important therapeutic and prognostic significance in patients with newly diagnosed cancers. The SLN is the first lymph node that receives lymphatic drainage from the site of a primary tumor. Two biocompatible dendronized phosphonates, one bearing a Patent Blue (PB VF) dye at its periphery, where synthesized. Indeed, such a blue dye is currently injected to label the lymph node system for its per-operative detection. Therefore, developing chemistry of Patent Blue VF to optimize early diagnosis is of great current interest. (C) 2011 Elsevier Ltd. All rights reserved.