5-((8-amino-3,6,10,13,16,19-hexaazabicyclo(6.6.6)eicos-1-yl)amino)-5-oxopentanoic acid | 1174399-21-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-((8-amino-3,6,10,13,16,19-hexaazabicyclo(6.6.6)eicos-1-yl)amino)-5-oxopentanoic acid
• 英文别名: [(1-NH3Cl)(8-NHCO(CH2)3COOH)Sar]；5-[(8-amino-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl)amino]-5-oxopentanoic acid
• CAS: 1174399-21-3
• 化学式: C₁₉H₄₀N₈O₃
• 分子量: 428.578
• InChiKey: CMDFUIYQUYRIHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.2
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  165
• 氢给体数：
  9
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  copper dichloride 、 5-((8-amino-3,6,10,13,16,19-hexaazabicyclo(6.6.6)eicos-1-yl)amino)-5-oxopentanoic acid 在 盐酸 、 sodium acetate 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  [EN] NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS
  [FR] CONJUGUÉS MACROCYCLIQUES CONTENANT DE L'AZOTE COMME PRODUITS RADIOPHARMACEUTIQUES

  摘要：

  本发明涉及用作金属配体的化合物，这些化合物要么包含分子识别基团，要么可以与分子识别基团结合，并且制备这些化合物的方法。一旦含有分子识别基团的化合物与适当的金属放射性核素配位，这些配位化合物在放射治疗和诊断成像领域中作为放射性药物是有用的。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。

  公开号：

  WO2010063069A1

文献信息

• Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals
  申请人：Donnelly Paul Stephen

  公开号：US20110293517A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilising the radiolabelled compounds of the invention.

  本发明涉及用作金属配体的化合物，其中包含分子识别基团或可以结合到分子识别基团上，并且制备这些化合物的方法。一旦包含分子识别基团的化合物与适当的金属放射性核素配位，这些配位化合物在放射治疗和诊断成像领域中有用作放射性药物的作用。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。
• Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals
  申请人：THE UNIVERSITY OF MELBOURNE

  公开号：US10301326B2

  公开（公告）日：2019-05-28

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilizing the radiolabelled compounds of the invention.

  本发明涉及可用作金属配体、含有分子识别基团或可与分子识别基团结合的化合物以及制造这些化合物的方法。一旦含有分子识别基团的化合物与合适的金属放射性核素配位，配位后的化合物就可用作放射治疗和诊断成像领域的放射性药物。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。
• NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS
  申请人：THE UNIVERSITY OF MELBOURNE

  公开号：US20170267699A1

  公开（公告）日：2017-09-21

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilising the radiolabelled compounds of the invention.
• US9701694B2
  申请人：——

  公开号：US9701694B2

  公开（公告）日：2017-07-11
• [EN] NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS<br/>[FR] CONJUGUÉS MACROCYCLIQUES CONTENANT DE L'AZOTE COMME PRODUITS RADIOPHARMACEUTIQUES
  申请人：UNIV MELBOURNE

  公开号：WO2010063069A1

  公开（公告）日：2010-06-10

  The present invention relates to compounds that are useful as metal ligands and which either contain a molecular recognition moiety or can be bound to a molecular recognition moiety and methods of making these compounds. Once the compounds that contain a molecular recognition moiety are coordinated with a suitable metallic radionuclide, the coordinated compounds are useful as radiopharmaceuticals in the areas of radiotherapy and diagnostic imaging. The invention therefore also relates to methods of diagnosis and therapy utilising the radiolabelled compounds of the invention.

  本发明涉及用作金属配体的化合物，这些化合物要么包含分子识别基团，要么可以与分子识别基团结合，并且制备这些化合物的方法。一旦含有分子识别基团的化合物与适当的金属放射性核素配位，这些配位化合物在放射治疗和诊断成像领域中作为放射性药物是有用的。因此，本发明还涉及利用本发明的放射性标记化合物进行诊断和治疗的方法。