DMeOB - ≥98% , CAS No.40252-74-2

CAS: 40252-74-2 Cat. No.: D335880 Fórmula: C₁₆H₁₆N₂O₂ Peso molecular: 268.31 Número EC: 637-036-7

CALIDAD & PUREZA ≥98%

Synonyms

m-Anisaldehyde, azine | (1E,2E)-bis(3-methoxybenzylidene)hydrazine | AKOS000497421 | Benzaldehyde, 3-methoxy-, [(3-methoxyphenyl)methylene]hydrazone, (E,E)- | BDBM50024560 | Benzaldehyde, 3-methoxy-, 2-[(3-methoxyphenyl)methylene]hydrazone | 3-Methoxybenz

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

DMEOB is a negative allosteric modulator at mGluR-5. DMEOB exhibits reversible noncompetitive inhibition of mGluR-5-mediated responses. In general, group I metabotropic glutamate receptors are coupled to G|q/11|and are activators of phospholipase C.

Especificaciones

Sinónimos

m-Anisaldehyde, azine | (1E,2E)-bis(3-methoxybenzylidene)hydrazine | AKOS000497421 | Benzaldehyde, 3-methoxy-, [(3-methoxyphenyl)methylene]hydrazone, (E,E)- | BDBM50024560 | Benzaldehyde, 3-methoxy-, 2-[(3-methoxyphenyl)methylene]hydrazone | 3-Methoxybenz

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Tipo de acción

AGONIST

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488195867

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195867

Sonrisas canónicas

COC1=CC=CC(=C1)C=NN=CC2=CC(=CC=C2)OC

IUPAC Name

(E)-1-(3-methoxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]methanimine

InChIKey

FBNPHFBYHYNMHC-JYFOCSDGSA-N

INCHI

1S/C16H16N2O2/c1-19-15-7-3-5-13(9-15)11-17-18-12-14-6-4-8-16(10-14)20-2/h3-12H,1-2H3/b17-11+,18-12+

Isómeros SMILES

COC1=CC=CC(=C1)/C=N/N=C/C2=CC(=CC=C2)OC

WGK Alemania

3

Peso molecular

268.31

Reaxy-Rn

1985187

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1985187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aldazines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Azine - Aldazine - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Objetivos asociados (humanos)

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (100 mM), and DMSO (~28 mg/ml). Insoluble in water.
• Índice de refracción: n20D1.54 (Predicted)
• Punto de ebullición (°C): 405.08° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 109.67° C (Predicted)
• Peso molecular: 268.310 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 268.121 Da
• Monoisotopic Mass: 268.121 Da
• Topological Polar Surface Area: 43.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1