Stilonium , CAS No.778527-06-3

CAS: 778527-06-3 Cat. No.: S668956 Summenformel: C₂₂H₃₀NO⁺ Molekulargewicht: 324.5 PubChem CID: 5824382

Synonyms

STILONIUM | UNII-4L5V8Z34JM | 4L5V8Z34JM | triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium | Ethanaminium, N,N,N-triethyl-2-(4-(2-phenylethenyl)phenoxy)- | M.G.-624 | (E)-N,N,N-Triethyl-2-(4-styrylphenoxy)ethanaminium | MLS002172460 | NCGC001632

Storage

Room temperature

Specifications

Synonyme

STILONIUM | UNII-4L5V8Z34JM | 4L5V8Z34JM | triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium | Ethanaminium, N,N,N-triethyl-2-(4-(2-phenylethenyl)phenoxy)- | M.G.-624 | (E)-N,N,N-Triethyl-2-(4-styrylphenoxy)ethanaminium | MLS002172460 | NCGC001632

Storage

Room temperature

Produkteigenschaften

• ALogP: 5.3

Namen und Kennungen

• Kanonisches Lächeln: CC[N+](CC)(CC)CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2
• IUPAC Name: triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium
• InChIKey: YIMFXBPXUPTIEJ-OUKQBFOZSA-N
• INCHI: 1S/C22H30NO/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20/h7-17H,4-6,18-19H2,1-3H3/q+1/b13-12+
• Isomere SMILES: CC[N+](CC)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• PubChem CID: 5824382
• Molekulargewicht: 324.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Tetraalkylammonium salts Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)

Discover Target: CHRNA7

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

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

Discover Target: CHRNA7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 324.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 324.233 Da
• Monoisotopic Mass: 324.233 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 1
• Complexity: 339.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 778527-06-3, the molecular formula is C22H30NO?, and the molecular weight is 324.5 g/mol. InChIKey YIMFXBPXUPTIEJ-OUKQBFOZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.