1-hydroxy-3,6-dicarboxy-2(1H)-pyridinone | 1268339-00-9

• 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: 1-hydroxy-3,6-dicarboxy-2(1H)-pyridinone
• 英文别名: 1-hydroxy-6-oxo-1,6-dihydropyridine-2,5-dicarboxylic acid；1-Hydroxy-6-oxopyridine-2,5-dicarboxylic acid
• CAS: 1268339-00-9
• 化学式: C₇H₅NO₆
• 分子量: 199.12
• InChiKey: VDPHDUCOIICBNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-hydroxy-3,6-dicarboxy-2(1H)-pyridinone 在 盐酸 、 potassium carbonate 、 sodium hydroxide 、 lithium hydroxide 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.5h， 生成 N,N''-bis[1-benzyloxy-3-carbamido-2-oxo-1,2-dihydropyridine-4-carboxy]-N'-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-bis(2-aminoethyl)amine disodium salt
  参考文献：
  名称：

  [EN] DI-MACROCYCLES
  [FR] DI-MACROCYCLES

  摘要：

  这项发明涉及可用于治疗和诊断应用的化合物和复合物。

  公开号：

  WO2014078690A1
• 作为产物：
  描述：

  3,6-dicarboxy-2-chloropyridine 1-oxide 在 potassium hydroxide 作用下， 以 水 为溶剂， 以80%的产率得到1-hydroxy-3,6-dicarboxy-2(1H)-pyridinone
  参考文献：
  名称：

  [EN] DI-MACROCYCLES
  [FR] DI-MACROCYCLES

  摘要：

  这项发明涉及可用于治疗和诊断应用的化合物和复合物。

  公开号：

  WO2014078690A1

文献信息

• [EN] MACROCYCLIC HOPO CHELATORS<br/>[FR] CHÉLATEURS HOPO MACROCYCLIQUES
  申请人：LUMIPHORE INC

  公开号：WO2011025790A1

  公开（公告）日：2011-03-03

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds comprise hydroxypyridinonyl moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability.

  本发明提供了一种新型的大环化合物类别，以及由金属离子（例如，镧系元素）与本发明的化合物形成的配合物。首选的配合物在水介质中表现出高稳定性，以及镧系离子的发光量子产率高，而无需辅助激活剂。首选的化合物包括其大环结构中的羟基吡啶酮基团，并以对多种多肽（如抗体和蛋白质）的非特异性结合惊人地低以及高动力学稳定性为特征。
• MACROCYCLIC HOPO CHELATORS
  申请人：Butlin Nathaniel G.

  公开号：US20120214253A1

  公开（公告）日：2012-08-23

  The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds comprise hydroxypyridinonyl moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability.

  本发明提供了一类新型的大环化合物，以及由金属（例如镧系金属）离子和本发明中的化合物形成的络合物。优选的络合物在无需次级活化剂的情况下，具有高稳定性和高量子产率的镧系离子荧光。优选的化合物在它们的大环结构中包括羟基吡啶酮基团，并且其特点是与各种多肽（如抗体和蛋白质）具有惊人的低非特异性结合和高动力学稳定性。
• DI-MACROCYCLES
  申请人：LUMIPHORE, INC.

  公开号：US20160221971A1

  公开（公告）日：2016-08-04

  The invention relates to chemical compounds and complexes that can be used in therapeutic and diagnostic applications.

  本发明涉及可用于治疗和诊断应用的化合物和复合物。
• Hopo chelators
  申请人：Lumiphore, Inc.

  公开号：EP2816038A1

  公开（公告）日：2014-12-24

  The present invention provides a novel class of macrocyclic compounds of formula (I) as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds comprise hydroxypyridinonyl moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. (I)

  本发明提供了一类新型的式(I)大环化合物以及金属（如镧系元素）离子与本发明化合物之间形成的配合物。优选的配合物在水介质中表现出高稳定性和高镧系离子发光量子产率，无需二次活化剂。优选化合物在其大环结构中包含羟基吡啶壬基，其特点是与抗体和蛋白质等多种多肽的非特异性结合率低得出奇，并且具有很高的动力学稳定性。 (I)
• Macrocyclic ligands with pendant chelating moieties and complexes thereof
  申请人：LUMIPHORE, INC.

  公开号：US10239878B2

  公开（公告）日：2019-03-26

  The invention relates to ligands and complexes of metal ions with the ligands useful in various applications, including therapeutic and diagnostic applications.

  本发明涉及配体和金属离子与配体的络合物，可用于各种应用，包括治疗和诊断应用。