| 1244767-72-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• CAS: 1244767-72-3
• 化学式: C₁₄₈H₂₅₂N₃₆O₃₂
• 分子量: 3047.85
• InChiKey: AUACAVHOZPGCNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  216
• 可旋转键数：
  56
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  688
• 氢给体数：
  4
• 氢受体数：
  56

反应信息

• 作为反应物：
  描述：

  在 甲酸 作用下， 反应 12.0h， 生成
  参考文献：
  名称：

  WO2007/111514

  摘要：

  公开号：
• 作为产物：
  描述：

  、 1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸三叔丁酯 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  WO2007/111514

  摘要：

  公开号：

文献信息

• CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS
  申请人：Axelsson Oskar

  公开号：US20090110640A1

  公开（公告）日：2009-04-30

  The present invention relates to: Compounds of formula (I) consisting of a cyclic polymer core A and groups -L-X attached to said core A-(L-X) n (I) wherein A denotes a cyclic polymer which is comprised of 3 or 4 identical monomers which are connected by amide bonds; L may be present or not and if present is that same or different and denotes a linker moiety, X is the same or different and denotes a chelator; and n denotes an integer of 3 or 4; Compound of formula (II) consisting of a cyclic polymer core A and groups -L-X′ attached to said core A-(L-X′) n (H) wherein A denotes a cyclic polymer which is comprised of 3 or 4 identical monomers which are connected by amide bonds; L may be present or not and if present is that same or different and denotes a linker moiety, X is the same or different and denotes a paramagnetic chelate consisting of a chelator X and a paramagnetic metal ion M; and n denotes an integer of 3 or 4; And compositions comprising compounds of formula (II) and their use as contrast agents in magnetic resonance (MR) imaging (MRI) and magnetic resonance spectroscopy (MRS).
• WO2007/111514
  申请人：——

  公开号：——

  公开（公告）日：——