(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2-(bis(2-ethoxy-2-oxoethyl)amino)ethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 1351758-69-4

• 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: (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2-(bis(2-ethoxy-2-oxoethyl)amino)ethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• CAS: 1351758-69-4
• 化学式: C₂₄H₃₇NO₁₄
• 分子量: 563.556
• InChiKey: GFEKZSZNUJSKTL-REXJZNOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.49
• 重原子数：
  39.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  179.5
• 氢给体数：
  0.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2-(bis(2-ethoxy-2-oxoethyl)amino)ethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 甲醇 、 sodium methylate 作用下， 生成
  参考文献：
  名称：

  Biological evaluation of glucose and deoxyglucose derivatives radiolabeled with [99mTc(CO)3(H2O)3]+ core as potential melanoma imaging agents

  摘要：

  Glucose 9 and 2-deoxyglucose 10 were successfully synthesized and radiolabeled with [(99)mTc(CO)(3)(H2O)(3)](+) intermediate in high yield. The complexes were characterized by HPLC and its stability with histidine over time was challenged. Cell uptake and biodistribution studies in melanoma-bearing C57BL/6 mice were performed. Both compounds showed accumulation in tumor tissue with high tumor-to-muscle ratios. Thus, D-glucose- and D-2-deoxyglucose-Tc-99m complex could be considered as agents for melanoma diagnosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.106
• 作为产物：
  描述：

  2-叠氮乙基-2,3,4,6-四-O-乙酰-β-D-吡喃葡萄糖苷 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(2-(bis(2-ethoxy-2-oxoethyl)amino)ethoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  Biological evaluation of glucose and deoxyglucose derivatives radiolabeled with [99mTc(CO)3(H2O)3]+ core as potential melanoma imaging agents

  摘要：

  Glucose 9 and 2-deoxyglucose 10 were successfully synthesized and radiolabeled with [(99)mTc(CO)(3)(H2O)(3)](+) intermediate in high yield. The complexes were characterized by HPLC and its stability with histidine over time was challenged. Cell uptake and biodistribution studies in melanoma-bearing C57BL/6 mice were performed. Both compounds showed accumulation in tumor tissue with high tumor-to-muscle ratios. Thus, D-glucose- and D-2-deoxyglucose-Tc-99m complex could be considered as agents for melanoma diagnosis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.106