8-(carboxymethyl)-11-(2-((2-(2,3-dihydroxybenzamido)ethyl)amino)-2-oxoethyl)-1-(2,3-dihydroxyphenyl)-1,6-dioxo-2,5,8,11-tetraazatridecan-13-oic acid | 1357356-99-0

• 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: 8-(carboxymethyl)-11-(2-((2-(2,3-dihydroxybenzamido)ethyl)amino)-2-oxoethyl)-1-(2,3-dihydroxyphenyl)-1,6-dioxo-2,5,8,11-tetraazatridecan-13-oic acid
• CAS: 1357356-99-0
• 化学式: C₂₈H₃₆N₆O₁₂
• 分子量: 648.627
• InChiKey: WTMAJPUXLKGLRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.33
• 重原子数：
  46.0
• 可旋转键数：
  19.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  278.4
• 氢给体数：
  10.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  8-(carboxymethyl)-11-(2-((2-(2,3-dihydroxybenzamido)ethyl)amino)-2-oxoethyl)-1-(2,3-dihydroxyphenyl)-1,6-dioxo-2,5,8,11-tetraazatridecan-13-oic acid 在 oleum, fuming sulfuric acid, 20% SO3 作用下， 以71%的产率得到2-[2-[Carboxymethyl-[2-[2-[(2,3-dihydroxy-5-sulfobenzoyl)amino]ethylamino]-2-oxoethyl]amino]ethyl-[2-[2-[(2,3-dihydroxy-5-sulfobenzoyl)amino]ethylamino]-2-oxoethyl]amino]acetic acid
  参考文献：
  名称：

  EDTA and DTPA modified ligands as sequestering agents for uranyl decorporation

  摘要：

  Synthesis of modified EDTA and DTPA ligands and determination of their binding affinities for the uranyl cation are described.Thanks to a screening method, based on a chromophoric complex displacement procedure, chelating properties were studied in aqueous media under various pH conditions for evaluation of their in vivo uranyl-removal efficacy. Each ligand showed a more or less pronounced affinity for uranium. Specific ligands based on EDTA or DTPA analogues containing sulfocatecholamide (CAMS) were found to exhibit a significant affinity towards uranyl ion in acidic, neutral or basic conditions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.065
• 作为产物：
  描述：

  N-[2-(2,3-bis(benzyloxy)benzamido)ethyl]phthalimide 在 palladium 10% on activated carbon 、 氢气 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 112.0h， 生成 8-(carboxymethyl)-11-(2-((2-(2,3-dihydroxybenzamido)ethyl)amino)-2-oxoethyl)-1-(2,3-dihydroxyphenyl)-1,6-dioxo-2,5,8,11-tetraazatridecan-13-oic acid
  参考文献：
  名称：

  EDTA and DTPA modified ligands as sequestering agents for uranyl decorporation

  摘要：

  Synthesis of modified EDTA and DTPA ligands and determination of their binding affinities for the uranyl cation are described.Thanks to a screening method, based on a chromophoric complex displacement procedure, chelating properties were studied in aqueous media under various pH conditions for evaluation of their in vivo uranyl-removal efficacy. Each ligand showed a more or less pronounced affinity for uranium. Specific ligands based on EDTA or DTPA analogues containing sulfocatecholamide (CAMS) were found to exhibit a significant affinity towards uranyl ion in acidic, neutral or basic conditions. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.11.065