N,N'-DI(2-HYDROXY, 5-ACETAMIDOBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID | 132219-93-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,N'-DI(2-HYDROXY, 5-ACETAMIDOBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID
• 英文别名: 2-[(5-Acetamido-2-hydroxyphenyl)methyl-[2-[(5-acetamido-2-hydroxyphenyl)methyl-(carboxymethyl)amino]ethyl]amino]acetic acid
• CAS: 132219-93-3
• 化学式: C₂₄H₃₀N₄O₈
• 分子量: 502.524
• InChiKey: ITQPMYQZNVFOMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.4
• 重原子数：
  36
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  180
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  sodium hydroxide 、 iron(III) chloride 、 N,N'-DI(2-HYDROXY, 5-ACETAMIDOBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID 以 乙醇 、 水 为溶剂， 反应 1.0h， 以22%的产率得到
  参考文献：
  名称：

  A study on the synthesis and properties of substituted EHBG-Fe(III) complexes as potential MRI contrast agents

  摘要：

  Mono- and disubstituted EHBG (HBED) ligands of different kind: forming hydrogen bonds (p-OMe, p-NHAc) and of high lipophilicity (3,4-Me-2, p-Ph) were obtained. The ligands were complexed with Fe(III). Complexes so obtained were studied for their stability in different pH environments; and r(1) relaxivity, which turned out the highest for Fe-EHBG-NHAc, i.e. 0.95 mM(-1) s(-1) in aqueous solution and 1.34 mM(-1) s(-1) for Fe-EHBG-Me-2 in bovine serum. EPR signals were observed at g-factor of 4.27 indicative of Kramer's doublet transitions of a rhombically distorted high-spin paramagnetic center. (c) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.07.011
• 作为产物：
  描述：

  乙二胺-N,N’-二乙酸 、 对乙酰氨基酚 在 sodium hydroxide 、 聚合甲醛 作用下， 以 甲醇 、 水 为溶剂， 生成 N,N'-DI(2-HYDROXY, 5-ACETAMIDOBENZYL)ETHYLENEDIAMINE-N,N'-DIACETIC ACID
  参考文献：
  名称：

  Complexes possessing ortho ligating functionality

  摘要：

  揭示了一组具有正交配位功能的官能化胺螯合剂，与稀土类金属离子形成络合物。这些螯合剂具有一般公式##STR1##其中R.sup.'1、R.sup.'2、R.sup.'3、R.sup.'4、R.sup.'5和R.sup.'6、Z'和X均在规范中定义。此外，某些螯合剂-放射性核素络合物可以有效地用于制剂，用作治疗和/或诊断钙化肿瘤和/或缓解骨疼痛的剂。

  公开号：

  US05342604A1

文献信息

• A study on the synthesis and properties of substituted EHBG-Fe(III) complexes as potential MRI contrast agents
  作者：Nikodem Kuźnik、Grażyna Szafraniec-Gorol、Lidia Oczek、Artur Grucela、Paweł Jewuła、Anna Kuźnik、Pawel Zassowski、Wojciech Domagala

  DOI：10.1016/j.jorganchem.2014.07.011

  日期：2014.10

  Mono- and disubstituted EHBG (HBED) ligands of different kind: forming hydrogen bonds (p-OMe, p-NHAc) and of high lipophilicity (3,4-Me-2, p-Ph) were obtained. The ligands were complexed with Fe(III). Complexes so obtained were studied for their stability in different pH environments; and r(1) relaxivity, which turned out the highest for Fe-EHBG-NHAc, i.e. 0.95 mM(-1) s(-1) in aqueous solution and 1.34 mM(-1) s(-1) for Fe-EHBG-Me-2 in bovine serum. EPR signals were observed at g-factor of 4.27 indicative of Kramer's doublet transitions of a rhombically distorted high-spin paramagnetic center. (c) 2014 Elsevier B.V. All rights reserved.
• Complexes possessing ortho ligating functionality
  申请人：The Dow Chemical Company

  公开号：US05342604A1

  公开（公告）日：1994-08-30

  A group of functionalized amine chelants having ortho ligating functionality that form complexes with rare-earth type metal ions are disclosed. The chelants possess the general formula ##STR1## wherein R.sup.'1, R.sup.'2, R.sup.'3, R.sup.'4, R.sup.'5 and R.sup.'6, Z' and X are all defined in the specification. In addition certain of the chelant-radionuclide complexes can be effectively employed in compositions useful as therapeutic and/or diagnostic agents for calcific tumors and/or relief of bone pain.

  揭示了一组具有正交配位功能的官能化胺螯合剂，与稀土类金属离子形成络合物。这些螯合剂具有一般公式##STR1##其中R.sup.'1、R.sup.'2、R.sup.'3、R.sup.'4、R.sup.'5和R.sup.'6、Z'和X均在规范中定义。此外，某些螯合剂-放射性核素络合物可以有效地用于制剂，用作治疗和/或诊断钙化肿瘤和/或缓解骨疼痛的剂。