CB-TE2A-PDEA | 1235864-96-6

• 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: CB-TE2A-PDEA
• 英文别名: 4-(2-(2-pyridyldithioethyl)ethanamido)-11-carboxymethyl-1,4,8,11-tetraazabicyclo(6.6.2)hexadecane
• CAS: 1235864-96-6
• 化学式: C₂₃H₃₈N₆O₃S₂
• 分子量: 510.725
• InChiKey: OONINIIPIQDQQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.04
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  92.25
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-(2-pyridinyldisulfanyl)ethanamine hydrochloride 、 CB-TE2A试剂 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以74%的产率得到CB-TE2A-PDEA
  参考文献：
  名称：

  Liposomal Cu-64 Labeling Method Using Bifunctional Chelators: Poly(ethylene glycol) Spacer and Chelator Effects

  摘要：

  Two bifunctional Cu-64 chelators (BFCs),(6-(6-(3-(2-pyridyldithio)propionamido)hexanamido)benzyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid (TETA-PDP) and 4-(2-(2-pyridyldithioethyl)ethanamido)-11-carboxymethyl-1,4,8,11-tetraazabicyclo(6.6.2)hexadecane (CB-TE2A-PDEA), were synthesized and conjugated to long-circulating liposomes (LCLs) via attachment to a malcimide lipid. An in vitro stability assay of Cu-64-TETA, Cu-64-TETA-PEG2k, and Cu-64-CB-TE2A-PEG2k liposomes showed that more than 86% of the radioactivity remains associated with the liposomal fraction alter 48 h of incubation with mouse scrum. The in vivo time activity curves (TAC) for the three liposomal formulations showed that similar to 50% of the radioactivity cleared from the blood pool in 16-18 h. As expected, the in vivo biodistribution and TAC data obtained at 48 h demonstrate that the clearance of radioactivity from the liver slows with the incorporation of a poly(ethylene glycol)-2k (PEG2k) brush. Our data suggest that Cu-64-TETA and Cu-64-CB-TE2A are similarly stable in the blood pool and accumulation of radioactivity in the liver and spleen is not related to the stability of Cu-64 dictator complex: however, clearance of Cu-64 from the liver and spleen are faster when injected as Cu-64-TETA-chelated liposomes rather than Cu-64-CB-TE2A-chelated liposomes.

  DOI：

  10.1021/bc100018n