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Dcfpyl F-18 , Diagnostic agent, CAS No.1207181-29-0, Diagnostic agent
Basic Description
Synonyms
Dcfpyl F-18 | WHO 11870 | Piflufolastat F18 [USAN] | AKOS040746739 | Piflufolastat f18 | PYLARIFY | 3934EF02T7 | PIFLUFOLASTAT F-18 [ORANGE BOOK] | 18F-DCFPyL | 2-(3-(1-CARBOXY-5-((6-(18F) FLUORO-PYRIDINE-3-CARBONYL)-AMINO)-PENTYL)-UREIDO)PENTANEDIOIC ACI
Mechanism of action
Diagnostic agent
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Glutamic acid and derivatives
Alternative Parents
N-carbamoyl-alpha amino acids Tricarboxylic acids and derivatives Nicotinamides 2-halopyridines Aryl fluorides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Glutamic acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Tricarboxylic acid or derivatives - Pyridine carboxylic acid or derivatives - Nicotinamide - 2-halopyridine - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2S)-2-[[(1S)-1-carboxy-5-[(6-(18F)fluoranylpyridine-3-carbonyl)amino]pentyl]carbamoylamino]pentanedioic acid
INCHI
InChI=1S/C18H23FN4O8/c19-13-6-4-10(9-21-13)15(26)20-8-2-1-3-11(16(27)28)22-18(31)23-12(17(29)30)5-7-14(24)25/h4,6,9,11-12H,1-3,5,7-8H2,(H,20,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t11-,12-/m0/s1/i19-1
InChIKey
OLWVRJUNLXQDSP-MVBOSPHXSA-N
Smiles
C1=CC(=NC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F
Isomeric SMILES
C1=CC(=NC=C1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[18F]
PubChem CID
52950901
Molecular Weight
441.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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