(N,N-Diethylaminoethyl)-hydroxylamin | 55845-75-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (N,N-Diethylaminoethyl)-hydroxylamin
• 英文别名: N,N-Diethyl-N'-hydroxy-ethylenediamine；N-[2-(diethylamino)ethyl]hydroxylamine
• CAS: 55845-75-5
• 化学式: C₆H₁₆N₂O
• 分子量: 132.206
• InChiKey: WLFWJSRYXYLCJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Polyamine-substituted ligands for use as contrast agents
  申请人：Wolf Markus

  公开号：US20070202047A1

  公开（公告）日：2007-08-30

  The present invention relates to a polyamine-substituted ligand for the preparation of a contrast agent derived from a chelating molecule selected from the group consisting of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) and diethylentriamine-pentaacetic acid (DTPA), wherein at least one of the carboxylic groups of the chelating molecule is reacted with an amine of formula HNR 1 R 2 to form an amide bond, wherein R 1 , R 2 are independently selected from the group consisting of H; (CH 2 ) n —NR 3 R 4 ; and R 5 ; R 3 , R 4 are independently selected from the group consisting of H; (CH 2 ) m —NR 6 R 7 ; and (CH 2 ) m-1 —CH 3 ; R 6 , R 7 are independently selected from the group consisting of H; and (CH 2 ) o-1 —CH 3 ; n, m, o are independently 2, 3, or 4; R 5 is of formula and optionally at least one of the carboxylic groups of the chelating molecule is further reacted with a monoalkylamine having 1 to 18 carbon atoms to form an amide bond; provided that at least one of R 1 , R 2 is other than H. Furthermore, the invention relates to contrast agents for magnetic resonance imaging (MRI) comprising said ligands and in-vivo diagnostic methods based on MRI using said contrast agents.

  本发明涉及一种用于制备对比剂的聚胺取代配体，所述对比剂源自从1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸（DOTA）和二乙烯三胺五乙酸（DTPA）组成的羧基配体中选择的螯合分子，其中所述螯合分子的羧基之一与公式HNR1R2的胺反应形成酰胺键，其中R1、R2独立地选择自H；（CH2）n—NR3R4；和R5；R3、R4独立地选择自H；（ ）m—NR6R7；和（ ）m-1—CH3；R6、R7独立地选择自H；和（ ）o-1— ；n、m、o独立地为2、3或4；R5为公式，并且可选地，所述螯合分子的羧基之一进一步与具有1至18个碳原子的单烷基胺反应形成酰胺键；前提是R1、R2中至少一个不是H。此外，本发明涉及包括所述配体的磁共振成像（MRI）对比剂以及基于MRI使用所述对比剂的体内诊断方法。
• AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP2206707B1

  公开（公告）日：2014-07-23