| 1310568-66-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1310568-66-1
• 化学式: C₆₄H₁₀₀N₃O₂₂PS₂
• 分子量: 1358.61
• InChiKey: KCWNWZPPAPQVLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  92.0
• 可旋转键数：
  55.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  274.37
• 氢给体数：
  1.0
• 氢受体数：
  23.0

反应信息

• 作为反应物：
  描述：

  在 三甲基溴硅烷 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到5-(N-(2-(2-(2-(2-(2,6-bis((2,5,8,11-tetraoxatridecan-13-yl)oxy)-4-(phosphonomethyl)phenoxy)ethoxy)ethoxy)ethoxy)ethyl)sulfamoyl)-2-((4-(diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)benzenesulfonate
  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
• 作为产物：
  描述：

  patent blue VF 在 4-二甲氨基吡啶 、 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成
  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