3-[(E)-2-(4-phenylphenyl)ethenyl]-1-azabicyclo[2.2.2]octane - Moligand™ , Inhibitor of squalene synthase , CAS No.150843-77-9, Inhibitor of squalene synthase

CAS: 150843-77-9 Cat. No.: E608759 PubChem CID: 19077549

GRADE & PURITY Moligand™

Synonyms

3-((E)-2-(4-Phenylphenyl)ethenyl)-1-azabicyclo(2.2.2)octane | GTPL3092 | UNII-30PO842071 | 3-(2-(1,1'-Biphenyl)-4-ylethenyl)-1-azabicyclo(2.2.2)octane, (E)- | 3-((E)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]octane | 1-Azabicyclo(2.2.2)octane, 3-(2-(1,1'

Storage

Room temperature

Specifications

Synonyms

3-((E)-2-(4-Phenylphenyl)ethenyl)-1-azabicyclo(2.2.2)octane | GTPL3092 | UNII-30PO842071 | 3-(2-(1, 1'-Biphenyl)-4-ylethenyl)-1-azabicyclo(2.2.2)octane, (E)- | 3-((E)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]octane | 1-Azabicyclo(2.2.2)octane, 3-(2-(1, 1'

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: C(=C\c1ccc(cc1)c1ccccc1)/C1CN2CCC1CC2
• IUPAC Name: 3-[(E)-2-(4-phenylphenyl)ethenyl]-1-azabicyclo[2.2.2]octane
• InChIKey: OBORHRVWTIDYCG-DHZHZOJOSA-N
• INCHI: 1S/C21H23N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-11,20-21H,12-16H2/b11-8+
• Isomeric SMILES: C1CN2CCC1C(C2)/C=C/C3=CC=C(C=C3)C4=CC=CC=C4
• PubChem CID: 19077549

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Styrenes Quinuclidines Piperidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Styrene - Quinuclidine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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