Methyl 6-[[7-[[3-[[7-[[6-(2-hydroxyacetyl)pyridin-2-yl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]phenyl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]pyridine-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: Methyl 6-[[7-[[3-[[7-[[6-(2-hydroxyacetyl)pyridin-2-yl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]phenyl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]pyridine-2-carboxylate
• 英文别名: methyl 6-[[7-[[3-[[7-[[6-(2-hydroxyacetyl)pyridin-2-yl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]phenyl]methyl]-4,10-diaza-1,7-diazoniatetracyclo[5.5.2.04,13.010,14]tetradecan-1-yl]methyl]pyridine-2-carboxylate
• 化学式: C44H60N10O4+4
• 分子量: 793.0
• InChiKey: DAYBHADIZXCODT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  58
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• Macrocyclic Compounds And Metal Complexes For Bioimaging And Biomedical Applications
  申请人：NATIONAL YANG MING UNIVERSITY

  公开号：US20140187527A1

  公开（公告）日：2014-07-03

  The present disclosure provides a novel class of macrocyclic compounds and their metal complexes formed with transition metal ion, lanthanide metal ions and other metal ions (e.g., Al, Ga, Y, In, Sn, Tl, Pb and Bi) and their applications in the fields of contrast agents, artificial nucleases, fluorescence probes, nuclear medicines and other biomedical applications in the therapeutics or diagnostics.

  本公开提供了一类新型的大环化合物及其与过渡金属离子、镧系金属离子和其他金属离子（例如铝、镓、钇、铟、锡、铊、铅和铋）形成的金属配合物，以及它们在对比剂、人工核酸酶、荧光探针、核医学和其他生物医学应用领域中的应用，用于治疗或诊断。
• Macrocyclic Compositions And Metal Complexes For Bioimaging And Biomedical Applications
  申请人：National Yang Ming University

  公开号：US20150291538A1

  公开（公告）日：2015-10-15

  The present disclosure provides a novel class of macrocyclic compounds and their metal complexes formed with transition metal ion, lanthanide metal ions and other metal ions (e.g., Al, Ga, Y, In, Sn, Tl, Pb and Bi) and their applications in the fields of contrast agents, artificial nucleases, fluorescence probes, nuclear medicines and other biomedical applications in the therapeutics or diagnostics.
• US9062009B2
  申请人：——

  公开号：US9062009B2

  公开（公告）日：2015-06-23