RO0094889 - Moligand™ , Inhibitor of dihydropyrimidine dehydrogenase, CAS No.R613226, Inhibitor of dihydropyrimidine dehydrogenase

CAS: R613226 Cat. No.: R613226 PubChem CID: 9840745

GRADE & PURITY Moligand™

Synonyms

compound 11c;Ro 09-4889

Storage

Room temperature

Specifications

Sinónimos

compound 11c;Ro 09-4889

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of dihydropyrimidine dehydrogenase

Nombres e identificadores

• Sonrisas canónicas: C=Cc1cn(c(=O)nc1N)[C@@H]1O[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)C
• IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-ethenyl-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
• InChIKey: NELWQUQCCZMRPB-UBPLGANQSA-N
• INCHI: 1S/C15H19N3O6/c1-5-10-6-18(15(21)17-13(10)16)14-12(24-9(4)20)11(7(2)22-14)23-8(3)19/h5-7,11-12,14H,1H2,2-4H3,(H2,16,17,21)/t7-,11-,12-,14-/m1/s1
• Isómeros SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)C=C)OC(=O)C)OC(=O)C
• PubChem CID: 9840745

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase 5'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: 5'-deoxyribonucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 5'-deoxyribonucleosides
• Alternative Parents: Glycosylamines Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Dicarboxylic acids and derivatives Tetrahydrofurans Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5'-deoxyribonucleoside - Glycosyl compound - N-glycosyl compound - Aminopyrimidine - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Tetrahydrofuran - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
• 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

Objetivos asociados (humanos)

DPYD Tclin Dihydropyrimidine dehydrogenase [NADP(+)] (0 Activities)

Discover Target: DPYD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción