4-{(2-Tritylsulfanyl-ethyl)-[(2-tritylsulfanyl-ethylcarbamoyl)-methyl]-amino}-butyric acid methyl ester | 915380-02-8

• 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: 4-{(2-Tritylsulfanyl-ethyl)-[(2-tritylsulfanyl-ethylcarbamoyl)-methyl]-amino}-butyric acid methyl ester
• CAS: 915380-02-8
• 化学式: C₄₉H₅₀N₂O₃S₂
• 分子量: 779.08
• InChiKey: WYDJUNVQUWJLTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.81
• 重原子数：
  56.0
• 可旋转键数：
  20.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  58.64
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-{(2-Tritylsulfanyl-ethyl)-[(2-tritylsulfanyl-ethylcarbamoyl)-methyl]-amino}-butyric acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到N-[2-(tritylthio)ethylaminocarbonylmethyl]-N-[2-(tritylthio)ethyl]-4-aminobutyric acid
  参考文献：
  名称：

  Synthesis and biological evaluation of technetium-99m-labeled deoxyglucose derivatives as imaging agents for tumor

  摘要：

  Three deoxyglucose (DG) derivatives, S-DG, MAG(3)-DG and MAMA-BA-DG, were synthesized and labeled successfully with high labeling yields and high radio-chemical purities. Biodistribution in tumor-bearing mice demonstrated that these three new Tc-99m-deoxyglucose derivatives showed accumulation in tumor and high tumor-to-musele ratios. Among them, the Tc-99m-MAG(3)-DG showed the best characteristics as a potential tumor marker for single photon emission computed tomography (SPECT). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.050
• 作为产物：
  描述：

  三苯基甲醇 在 potassium carbonate 、 三乙胺 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 4-{(2-Tritylsulfanyl-ethyl)-[(2-tritylsulfanyl-ethylcarbamoyl)-methyl]-amino}-butyric acid methyl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of technetium-99m-labeled deoxyglucose derivatives as imaging agents for tumor

  摘要：

  Three deoxyglucose (DG) derivatives, S-DG, MAG(3)-DG and MAMA-BA-DG, were synthesized and labeled successfully with high labeling yields and high radio-chemical purities. Biodistribution in tumor-bearing mice demonstrated that these three new Tc-99m-deoxyglucose derivatives showed accumulation in tumor and high tumor-to-musele ratios. Among them, the Tc-99m-MAG(3)-DG showed the best characteristics as a potential tumor marker for single photon emission computed tomography (SPECT). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.050