(4R)-6-[(1,3-dichloro-7-fluoro-9H-fluoren-9-yl)methyl]-4-hydroxyoxan-2-one - Moligand™ , Inhibitor of hydroxymethylglutaryl-CoA reductase, CAS No.R608801, Inhibitor of hydroxymethylglutaryl-CoA reductase

CAS: R608801 Cat. No.: R608801

GRADE & PURITY Moligand™

Synonyms

compound 17

Storage

Room temperature

Specifications

Synonyms

compound 17

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of hydroxymethylglutaryl-CoA reductase

Names and Identifiers

• Canonical Smiles: O[C@@H]1CC(OC(=O)C1)CC1c2cc(F)ccc2c2c1c(Cl)cc(c2)Cl
• IUPAC Name: (4R)-6-[(1,3-dichloro-7-fluoro-9H-fluoren-9-yl)methyl]-4-hydroxyoxan-2-one
• InChIKey: GRRYPQNGDOCSIL-OPGSHWCFSA-N
• INCHI: 1S/C19H15Cl2FO3/c20-9-3-15-13-2-1-10(22)5-14(13)16(19(15)17(21)4-9)8-12-6-11(23)7-18(24)25-12/h1-5,11-12,16,23H,6-8H2/t11-,12?,16?/m1/s1
• Isomeric SMILES: C1[C@H](CC(=O)OC1CC2C3=C(C=C(C=C3)F)C4=C2C(=CC(=C4)Cl)Cl)O
• Reaxy-Rn: 25985428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25985428&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Delta valerolactones Oxanes Aryl fluorides Aryl chlorides Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Delta valerolactone - Delta_valerolactone - Aryl chloride - Aryl fluoride - Aryl halide - Oxane - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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)

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)

Mechanisms of Action