2-[1,4,7,10-tetraaza-4,7-di(1-carboxy-2-benzyloxy-ethyl)-10-carboxymethyl-cyclododecane-1-yl]-3-benzyloxypropionic acid | 124628-06-4

• 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: 2-[1,4,7,10-tetraaza-4,7-di(1-carboxy-2-benzyloxy-ethyl)-10-carboxymethyl-cyclododecane-1-yl]-3-benzyloxypropionic acid
• 英文别名: α,α',α''-tris[(phenylmethoxy)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid；α,α',α"-tris[(phenylmethoxy)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid；alpha,alpha',alpha"-Tris[(phenylmethoxy)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid；2-[4-(carboxymethyl)-7,10-bis(1-carboxy-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenylmethoxypropanoic acid
• CAS: 124628-06-4
• 化学式: C₄₀H₅₂N₄O₁₁
• 分子量: 764.873
• InChiKey: KXCNAXRVYKJXRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.4
• 重原子数：
  55
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  190
• 氢给体数：
  4
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  α,α',α"-tris(methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid 、 2-[1,4,7,10-tetraaza-4,7-di(1-carboxy-2-benzyloxy-ethyl)-10-carboxymethyl-cyclododecane-1-yl]-3-benzyloxypropionic acid 以yields α,α',α"-tris(hydroxymethyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid的产率得到2-[1,4,7,10-tetraaza-4,7-di(1-carboxy-2-hydroxy-ethyl)-10-carboxymethyl-cyclododecane-1-yl]-3-hydroxypropionic acid
  参考文献：
  名称：

  Intermediates

  摘要：

  本发明涉及一种新化合物，化学式为1,4,7,10-四氮杂双环[8.2.2]四十二烷-2-酮（I），以及其制备方法和用于制备四氮杂大环和单乙酸和二乙酸衍生物的用途。##STR1##

  公开号：

  US06028194A1

文献信息

• Process of preparing tetraaza tetraacetic acid
  申请人：Dibra S.p.A

  公开号：US06048980A1

  公开（公告）日：2000-04-11

  The present invention relates to the novel compound, 1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-2-one of formula (I), its preparation and the use thereof for the preparation of tetraazamacrocycles. ##STR1##

  本发明涉及一种新型化合物，即公式（I）中的1,4,7,10-四氮杂双环[8.2.2]十四烷-2-酮，以及其制备和用于制备四氮杂大环化合物的用途。##STR1##
• Process for producing tetraazabicyclo monoacetic acid
  申请人：Dibra S.p.A.

  公开号：US06020485A1

  公开（公告）日：2000-02-01

  The present invention relates to the novel compound, 1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-2-one of formula (I), its preparation and the use thereof for the preparation of tetraazamacrocycles. ##STR1##

  本发明涉及新型化合物1,4,7,10-四氮杂双环[8.2.2]四十二烷-2-酮（式（I）），其制备以及用于制备四氮杂大环的用途。 ##STR1##
• Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents
  申请人：Aime Silvio

  公开号：US20070258905A1

  公开（公告）日：2007-11-08

  The present invention relates to a new class of paramagnetic ion-based contrast agents of molecular weight lower than 3.5 kDa that show a pharmacokinetic profile analogous to that of the commonly used T1-general extravascular agents and that are further characterized by a higher relaxivity.

  本发明涉及一种新的顺磁离子基对比剂，其分子量低于3.5 kDa，显示类似于常用的T1通用非血管内对比剂的药代动力学特征，并且具有更高的弛豫度。
• 1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-2-one, a process for the
  申请人：Dibra S.p.A.

  公开号：US05977353A1

  公开（公告）日：1999-11-02

  The present invention relates to the novel compound, 1,4,7,10-tetraazabicyclo[8.2.2]tetradecan-2-one of formula (I), its preparation and the use thereof for the preparation of tetraazamacrocycles. ##STR1##

  本发明涉及一种新型化合物，即公式(I)中的1,4,7,10-四氮杂双环[8.2.2]四十二烷-2-酮，以及其制备和用于制备四氮杂大环的用途。 ##STR1##
• Contrast agents endowed with high relaxivity
  申请人：Aime Silvio

  公开号：US20110256067A1

  公开（公告）日：2011-10-20

  The present invention relates to a novel class of paramagnetic ion-based contrast agents of formula (I), wherein a chelating backbone moiety is highly functionalized by the presence of one or more polyhydroxylated chain, that show a pharmacokinetic profile analogous to that of the commonly used T1-general extravascular agents (NSA) but are further characterized by a higher relaxivity.

  本发明涉及一种新型的基于顺磁离子的对比剂类别，其化学式为(I)，其中螯合骨架部分通过一个或多个多羟基链的存在高度功能化，表现出与常用的T1通用非血管外用对比剂(NSA)相似的药代动力学特征，但具有更高的弛豫度。