S-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl] benzenecarbothioate | 1208256-31-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: S-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl] benzenecarbothioate
• CAS: 1208256-31-8
• 化学式: C₂₇H₃₂N₄O₁₁S
• 分子量: 620.637
• InChiKey: YFQUQOVIXJMDEB-JZBKLZLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  43
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  258
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  七烷基-2-乙酰氨基-2-脱氧-β-D-吡喃葡糖苷 、 贝硫肽 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以32%的产率得到S-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl] benzenecarbothioate
  参考文献：
  名称：

  A novel d-glucose derivative radiolabeled with technetium-99m: Synthesis, biodistribution studies and scintigraphic images in an experimental model of Ehrlich tumor

  摘要：

  A D-glucose-MAG(3) derivative was successfully synthesized and radiolabeled in high labeling yield. Biodistribution studies and scintigraphic images in Ehrlich tumor-bearing mice were performed. This compound showed high accumulation in tumor tissue with high tumor-to-muscle ratio. Thus, D-glucose-MAG(3) could be considered as agent for tumor diagnosis. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.03.003

文献信息

• Synthesis and biodistribution studies of carbohydrate derivatives radiolabeled with technetium-99m
  作者：André Luís Branco de Barros、Valbert Nascimento Cardoso、Luciene das Graças Mota、Ricardo José Alves

  DOI：10.1016/j.bmcl.2009.10.104

  日期：2010.1

  Three carbohydrate derivatives, MAG(3)-GI, MAG(3)-Ga, MAG(3)-NG, were synthesized and radiolabeled in high yields. These substances were injected in health Swiss mice and their biodistribution were evaluated. Among them, Tc-99m-MAG(3)-Ga displayed higher accumulation in hepatic tissue, due to the presence of specific receptors in the liver for this carbohydrate. Thus, the use of Tc-99m-MAG(3)-Ga to assess hepatic function can be considered. (c) 2009 Elsevier Ltd. All rights reserved.
• A novel d-glucose derivative radiolabeled with technetium-99m: Synthesis, biodistribution studies and scintigraphic images in an experimental model of Ehrlich tumor
  作者：André Luís Branco de Barros、Valbert Nascimento Cardoso、Luciene das Graças Mota、Elaine Amaral Leite、Mônica Cristina de Oliveira、Ricardo José Alves

  DOI：10.1016/j.bmcl.2010.03.003

  日期：2010.4

  A D-glucose-MAG(3) derivative was successfully synthesized and radiolabeled in high labeling yield. Biodistribution studies and scintigraphic images in Ehrlich tumor-bearing mice were performed. This compound showed high accumulation in tumor tissue with high tumor-to-muscle ratio. Thus, D-glucose-MAG(3) could be considered as agent for tumor diagnosis. (C) 2010 Elsevier Ltd. All rights reserved.