1321468-58-9

Basic information

• Product Name: 4-2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino-2-phenylpyrimidine-5-carboxylic acid
• Synonyms: 4-2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino-2-phenylpyrimidine-5-carboxylic acid
• CAS NO: 1321468-58-9
• Molecular Weight: 391.429
• Mol File: 1321468-58-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino-2-phenylpyrimidine-5-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino-2-phenylpyrimidine-5-carboxylic acid(1321468-58-9)
• EPA Substance Registry System: 4-2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino-2-phenylpyrimidine-5-carboxylic acid(1321468-58-9)

Safety Data

• Hazardous Substances Data: 1321468-58-9(Hazardous Substances Data)

Upstream product

• 1321468-54-5 ethyl 4-(2-(N-ethyl,N-3-pyridylmethylamino)-2-oxoethylamino)2-phenylpyrimidine-5-carboxylate 
• 120739-64-2 C₈H₁₀N₂ 
• 3000-75-7 N-ethyl-N-(3-pyridylmethyl)amine 
• 500-22-1 3-pyridinecarboxaldehyde 

Downstream Products

• 1321468-61-4 N-ethyl-N-(3-pyridylmethyl)-2-(8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide 
• 1321468-64-7 N-ethyl-N-(3-pyridylmethyl)-2-(7-methyl-8-oxo-2-phenyl-7,8-dihydro-9H-purin-9-yl)acetamide 

Relevant articles and documents

Synthesis and evaluation of novel carbon-11 labeled oxopurine analogues for positron emission tomography imaging of translocator protein (18 kDa) in peripheral organs

To develop a PET ligand for imaging TSPO in peripheral organs, we designed three novel oxopurine analogues [11C]3a-c (LogD: 1.81-2.17) by introducing a pyridine ring in place of a benzene ring in the lead compound [11C]2 (LogD: 3.48). The desmethyl precursors 10 for radiosynthesis were synthesized by reacting glycine 7 with picolylamines 4, followed by hydrolysis and by Curtius rearrangement with diphenylphosphoryl azide. Methylation of 10a-c with methyl iodide produced unlabeled compounds 3a-c. The radiosynthesis of [11C]3a-c was performed by reacting 10a-c with [11C]methyl iodide. Compounds 3a-c displayed high or moderate in vitro binding affinities (Ki: 5-40 nM) for TSPO. PET with [ 11C]3a-c in rats showed high uptake in the lung, heart, and kidney, which are organs with high TSPO expression. Metabolite analysis with [ 11C]3a showed that radioactivity in these organs mainly corresponded with unchanged [11C]3a. PET with [11C]3a using a rat model of lung inflammation showed a significant signal in the lipopolysaccharide- treated lung.