Dcfpyl F-18 , Diagnostic agent, CAS No.1207181-29-0, Diagnostic agent

CAS: 1207181-29-0 Cat. No.: D671218 Summenformel: C₁₈H₂₃FN₄O₈ Molekulargewicht: 441.4 PubChem CID: 52950901

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

Storage

Room temperature

Spezifikationen

Synonyme

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

Storage

Room temperature

Mechanismus der Wirkung

Diagnostic agent

Produkteigenschaften

ALogP

-0.1

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=NC=C1C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F

IUPAC Name

(2S)-2-[[(1S)-1-carboxy-5-[(6-(18F)fluoranylpyridine-3-carbonyl)amino]pentyl]carbamoylamino]pentanedioic acid

InChIKey

OLWVRJUNLXQDSP-MVBOSPHXSA-N

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

Isomere 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

Molekulargewicht

441.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives
            • Ebene7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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.

DOI: 10.1186/s13321-016-0174-y