389130-74-9

Basic information

• Product Name: 4-Pyrimidinecarboxamide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetramethyl-6-oxo- (9CI)
• Synonyms: 4-Pyrimidinecarboxamide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetramethyl-6-oxo- (9CI);4-PyriMidinecarboxaMide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetraMethyl-6-oxo-
• CAS NO: 389130-74-9
• Molecular Formula: C9H13N3O3
• Molecular Weight: 211.21782
• Product Categories: ALCOHOL
• Mol File: 389130-74-9.mol

Chemical Properties

• Boiling Point: 345.5±52.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• PKA: 4.50±1.00(Predicted)
• CAS DataBase Reference: 4-Pyrimidinecarboxamide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetramethyl-6-oxo- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Pyrimidinecarboxamide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetramethyl-6-oxo- (9CI)(389130-74-9)
• EPA Substance Registry System: 4-Pyrimidinecarboxamide, 1,6-dihydro-5-hydroxy-N,N,1,2-tetramethyl-6-oxo- (9CI)(389130-74-9)

Safety Data

• Hazardous Substances Data: 389130-74-9(Hazardous Substances Data)

Relevant articles and documents

2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS

The invention provides a new class of strongly chelating multidentate ligands based on a 2-hydroxy-1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid scaffold (hereafter 1,2-HOIQO) in combination with polyamine backbones. The extremely stable bidentate 1,2- HOIQO moiety can be synthesized by standard synthetic methodology on a large scale. An advantageous feature is the possibility to introduce a wide range of substituents on the benzene ring by standard transformations (like electrophilic aromatic substitutions). This allows, for example, for the tuning of chemical, photophysical, and solubility properties, as well as the attachment of functional moieties, relevant for sensing and imaging applications (e.g. DNA, proteins, antibodies, fluorophores, etc.). The combination of the 1,2-HOIQO chelators with polyamine backbones provides very strongly binding ligands for a variety of metals including first-row transition metals, lanthanides, actinides, etc. Metal complexes of this kind are expected to be useful in a number of applications (e.g. luminescence, MRI, actinide sequestering, metal chelation therapy, metal radioisotope labeling, etc.).

Hydroxypyridonate and hydroxypyrimidinone chelating agents

The present invention provides hydroxypyridinone and hydroxypyrimidone chelating agents. Also provides are Gd(III) complexes of these agents, which are useful as contrast enhancing agents for magnetic resonance imaging. The invention also provides methods of preparing the compounds of the invention, as well as methods of using the compounds in magnetic resonance imaging applications.