(3R,6E)-7-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.R608708, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: R608708 Cat. No.: R608708 PubChem CID: 56947043

GRADE & PURITY Moligand™

Synonyms

compound 13

Storage

Room temperature

Specifications

Sinónimos

compound 13

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: O[C@H](CC(/C=C/c1c(nc2c(c1c1ccc(cc1)F)cc(cc2)Cl)C(C)C)O)CC(=O)[O-]
• IUPAC Name: (3R,6E)-7-[6-chloro-4-(4-fluorophenyl)-2-(propan-2-yl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
• InChIKey: FMCKOMPEFSASBD-FLRXWSLESA-M
• INCHI: 1S/C25H25ClFNO4/c1-14(2)25-20(9-8-18(29)12-19(30)13-23(31)32)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29-30H,12-13H2,1-2H3,(H,31,32)/p-1/b9-8+/t18?,19-/m1/s1
• Isómeros SMILES: CC(C)C1=NC2=C(C=C(C=C2)Cl)C(=C1/C=C/C(C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F
• PubChem CID: 56947043

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 Chloroquinolines Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Fluorobenzenes Halogenated fatty acids Heterocyclic fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Unsaturated fatty acids Aryl chlorides Aryl fluorides Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organic anions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 4-phenylpyridine - Haloquinoline - Chloroquinoline - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Monocyclic benzene moiety - Unsaturated fatty acid - Pyridine - Aryl halide - Aryl fluoride - Hydroxy acid - Benzenoid - Fatty acid - Fatty acyl - Aryl chloride - Heteroaromatic compound - Secondary alcohol - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - 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 (1 Activities)

Discover Target: HMGCR

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