(2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)(2-phenylpropyl)amine - Moligand™ , Inhibitor of squalene synthase , CAS No.E609451, Inhibitor of squalene synthase

CAS: E609451 Cat. No.: E609451 PubChem CID: 9820129

GRADE & PURITY Moligand™

Synonyms

compound 8

Storage

Room temperature

Specifications

Synonyms

compound 8

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: CC(c1ccccc1)CNCCOc1ccc(cc1)/C=C/c1ccccc1
• IUPAC Name: (2-{4-[(E)-2-phenylethenyl]phenoxy}ethyl)(2-phenylpropyl)amine
• InChIKey: WNJQYWRTNXZZRC-OUKQBFOZSA-N
• INCHI: 1S/C25H27NO/c1-21(24-10-6-3-7-11-24)20-26-18-19-27-25-16-14-23(15-17-25)13-12-22-8-4-2-5-9-22/h2-17,21,26H,18-20H2,1H3/b13-12+
• Isomeric SMILES: CC(CNCCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2)C3=CC=CC=C3
• PubChem CID: 9820129

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Phenylpropylamines Styrenes Phenoxy compounds Phenol ethers Aralkylamines Alkyl aryl ethers Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenylpropylamine - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ether - Secondary aliphatic amine - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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)

FDFT1 Tchem Squalene synthase (1 Activities)

Discover Target: FDFT1

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

Mechanisms of Action