(3R)-6-{[2-(4-fluorophenyl)-4-(propan-2-yl)quinolin-3-yl]oxy}-3,5-dihydroxyhexanoate - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.F608660, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: F608660 Cat. No.: F608660 PubChem CID: 56947040

GRADE & PURITY Moligand™

Synonyms

compound 11nn

Storage

Room temperature

Specifications

Sinónimos

compound 11nn

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of hydroxymethylglutaryl-CoA reductase

Nombres e identificadores

• Sonrisas canónicas: OC(C[C@H](CC(=O)[O-])O)COc1c(nc2c(c1C(C)C)cccc2)c1ccc(cc1)F
• IUPAC Name: (3R)-6-{[2-(4-fluorophenyl)-4-(propan-2-yl)quinolin-3-yl]oxy}-3,5-dihydroxyhexanoate
• InChIKey: WFJBUGLKYOMEIA-QNSVNVJESA-M
• INCHI: 1S/C24H26FNO5/c1-14(2)22-19-5-3-4-6-20(19)26-23(15-7-9-16(25)10-8-15)24(22)31-13-18(28)11-17(27)12-21(29)30/h3-10,14,17-18,27-28H,11-13H2,1-2H3,(H,29,30)/p-1/t17-,18?/m1/s1
• Isómeros SMILES: CC(C)C1=C(C(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)OCC(C[C@H](CC(=O)[O-])O)O
• PubChem CID: 56947040

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Alkyl aryl ethers Beta hydroxy acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Halogenated fatty acids Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Medium-chain hydroxy acid - Medium-chain fatty acid - Alkyl aryl ether - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Hydroxy acid - Pyridine - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - Fatty acid - Fatty acyl - Aryl halide - Heteroaromatic compound - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (3 Activities)

Discover Target: HMGCR

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