(E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine - Moligand™ , Inhibitor of squalene synthase , CAS No.E609035, Inhibitor of squalene synthase

CAS: E609035 Cat. No.: E609035 PubChem CID: 44354318

GRADE & PURITY Moligand™

Synonyms

compound 28

Storage

Room temperature

Specifications

Synonyms

compound 28

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of squalene synthase

Names and Identifiers

• Canonical Smiles: C=CCc1cc(CO/N=C/C)ccc1OCCCNC(C)C
• IUPAC Name: (E)-ethylidene({[3-(prop-2-en-1-yl)-4-{3-[(propan-2-yl)amino]propoxy}phenyl]methoxy})amine
• InChIKey: RLGKAOYAKHPRMW-CGOBSMCZSA-N
• INCHI: 1S/C18H28N2O2/c1-5-8-17-13-16(14-22-20-6-2)9-10-18(17)21-12-7-11-19-15(3)4/h5-6,9-10,13,15,19H,1,7-8,11-12,14H2,2-4H3/b20-6+
• Isomeric SMILES: C/C=N/OCC1=CC(=C(C=C1)OCCCNC(C)C)CC=C
• PubChem CID: 44354318

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Oxime ethers Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Oxime ether - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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