N-[(5S)-5,6-bis[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[[2-(2-methoxyethoxymethoxy)phenyl]methyl]amino]hexyl]-3-(2-methoxyethoxy)propanamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[(5S)-5,6-bis[bis[(2-methylpropan-2-yl)oxy]phosphorylmethyl-[[2-(2-methoxyethoxymethoxy)phenyl]methyl]amino]hexyl]-3-(2-methoxyethoxy)propanamide
• 化学式: C₅₂H₉₃N₃O₁₅P₂
• 分子量: 1062.3
• InChiKey: CUFKHQPBYBIHID-GWHBCOKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  72
• 可旋转键数：
  42
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  181
• 氢给体数：
  1
• 氢受体数：
  17

文献信息

• BIFUNCTIONAL CHELATING AGENTS
  申请人：GENERAL ELECTRIC COMPANY

  公开号：US20140088314A1

  公开（公告）日：2014-03-27

  A chelating agent, a metal-chelate, and a contrast agent are provided, wherein the chelating agent comprises a compound of structure (I) wherein R 1 , R 2 , R 3 , R 8 , R 7 , R′ 7 R′ 1 , R′ 2 , R′ 3 and R 8 ′ are selected from a hydrogen, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; R 4 and R′ 4 are selected from a hydrogen, a hydroxyl group, a protected hydroxy group, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; n is an integer between 0 and 4; R 5 and R′ 5 are selected from a hydrogen, a protecting group selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals; R 9 and R′ 9 are selected form a hydrogen or a protecting group selected from the group consisting of C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals, m is an integer between 0 and 10; and at least one of R 7 and R′ 7 is acidic group or a protected acidic group.

  提供了一种螯合剂、金属螯合物和对比剂，其中螯合剂包括结构（I）的化合物，其中R1、R2、R3、R8、R7、R′7、R′1、R′2、R′3和R8′从氢、受保护的C1-C3羟基烷基基团、C1-C3烷基基团中选择；R4和R′4从氢、羟基、受保护的羟基、受保护的C1-C3羟基烷基基团、C1-C3烷基基团中选择；n是0到4之间的整数；R5和R′5从氢、选自C1-C30脂肪基、C3-C30环脂肪基、C2-C30芳香基的保护基中选择；R9和R′9从氢或选自C1-C30脂肪基、C3-C30环脂肪基、C2-C30芳香基的保护基中选择；m是0到10之间的整数；并且R7和R′7中的至少一个是酸性基团或受保护的酸性基团。
• CONTRAST ENHANCEMENT AGENTS AND METHOD OF USE THEREOF
  申请人：GENERAL ELECTRIC COMPANY

  公开号：US20140086846A1

  公开（公告）日：2014-03-27

  A contrast agent composition and a method of diagnostic imaging are provided. The composition comprises a pharmaceutically acceptable carrier and a metal-complex comprising a ligand having structure (XXX): wherein R 1 , R 2 , R 3 , R 7 , R 8 , R′ 1 , R′ 2 , R′ 3 , R 7 ′ and R 8 ′ are selected form hydrogen, a protected C 1 -C 3 hydroxyalkyl group, or a C 1 -C 3 alkyl group; R 4 , R′ 4 are selected from a hydrogen, a hydroxyl, a protected hydroxyl group, a protected C 1 -C 3 hydroxyalkyl group, a C 1 -C 3 alkyl group; n is an integer between 0 and 4; R 5 , R′ 5 are selected from a hydrogen, a protecting group comprising C 1 -C 30 aliphatic radicals, C 3 -C 30 cycloaliphatic radicals, C 2 -C 30 aromatic radicals, m is an integer between 1 and 10; at least one of R 7 and R′ 7 is acidic groups or protected acidic groups; Y comprises a protein or peptide moiety, a particle, a micelle, a liposome, an organic molecule, oligomer, polymer or a hydrophilic moiety.

  提供了一种对比剂组合物和诊断成像方法。该组合物包括一种药用载体和一种金属配合物，其包括具有结构（XXX）的配体：其中R1、R2、R3、R7、R8、R′1、R′2、R′3、R7′和R8′从氢、受保护的C1-C3羟基烷基或C1-C3烷基中选择；R4、R′4从氢、羟基、受保护的羟基烷基、受保护的C1-C3羟基烷基或C1-C3烷基中选择；n是0到4之间的整数；R5、R′5从氢、包含C1-C30脂肪基、C3-C30环烷基、C2-C30芳香基的保护基中选择；m是1到10之间的整数；R7和R′7中至少有一个是酸性基团或受保护的酸性基团；Y包括蛋白质或肽基团、粒子、胶束、脂质体、有机分子、寡聚体、聚合物或亲水基团。
• US9155804B2
  申请人：——

  公开号：US9155804B2

  公开（公告）日：2015-10-13