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

Synonyms

compound 11c;Ro 09-4889

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of dihydropyrimidine dehydrogenase

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
    • Class 5'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: 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
• Description: 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

Associated Targets(Human)

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

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Homo sapiens (32628 Activities)

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Mechanisms of Action