(3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.R608991, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: R608991 Cat. No.: R608991 PubChem CID: 56947033

GRADE & PURITY Moligand™

Synonyms

compound 25d

Storage

Room temperature

Specifications

Sinónimos

compound 25d

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: CCC(c1ccccc1)(c1ccc(c(c1)c1ccc(cc1)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)CC
• IUPAC Name: (3R,5S,6E)-7-[2-(4-fluorophenyl)-4-(3-phenylpentan-3-yl)phenyl]-3,5-dihydroxyhept-6-enoate
• InChIKey: VICOOSNNZUPVHM-IGPZRPDBSA-M
• INCHI: 1S/C30H33FO4/c1-3-30(4-2,23-8-6-5-7-9-23)24-14-10-21(13-17-26(32)19-27(33)20-29(34)35)28(18-24)22-11-15-25(31)16-12-22/h5-18,26-27,32-33H,3-4,19-20H2,1-2H3,(H,34,35)/p-1/b17-13+/t26-,27-/m1/s1
• Isómeros SMILES: CCC(CC)(C1=CC=CC=C1)C2=CC(=C(C=C2)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F
• PubChem CID: 56947033

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Biphenyls and derivatives Cinnamyl alcohols Phenylpropanes Medium-chain hydroxy acids and derivatives Styrenes Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Halogenated fatty acids Fluorobenzenes Unsaturated fatty acids Aryl fluorides Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Biphenyl - Cinnamyl alcohol - Medium-chain hydroxy acid - Phenylpropane - Styrene - Medium-chain fatty acid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Halogenated fatty acid - Hydroxy fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Hydroxy acid - Aryl halide - Aryl fluoride - Secondary alcohol - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Organic anion - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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)