2-[[2-[2-[[2,3-Bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-[2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid | 1357356-98-9

• 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: 2-[[2-[2-[[2,3-Bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-[2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
• 英文别名: 2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-[2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
• CAS: 1357356-98-9
• 化学式: C₅₆H₆₀N₆O₁₂
• 分子量: 1009.13
• InChiKey: JOMCBQWCEQKCMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  74
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  234
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2-[[2-[2-[[2,3-Bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-[2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid 在 oleum, fuming sulfuric acid, 20% SO3 、 palladium 10% on activated carbon 、 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 生成 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：

  苯甲酸,二羟基- 在 草酰氯 、 potassium carbonate 、 一水合肼 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 丙酮 、 甲苯 为溶剂， 反应 45.0h， 生成 2-[[2-[2-[[2,3-Bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-[2-[[2-[2-[[2,3-bis(phenylmethoxy)benzoyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]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

文献信息

• EDTA and DTPA modified ligands as sequestering agents for uranyl decorporation
  作者：Antoine Leydier、Yi Lin、Guilhem Arrachart、Raphaël Turgis、Delphine Lecerclé、Alain Favre-Reguillon、Frédéric Taran、Marc Lemaire、Stéphane Pellet-Rostaing

  DOI：10.1016/j.tet.2011.11.065

  日期：2012.1

  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.