DMeOB - ≥98% , CAS No.40252-74-2

CAS: 40252-74-2 Cat. No.: D335880 Formula: C₁₆H₁₆N₂O₂ Peso molecolare: 268.31 Numero EC: 637-036-7

QUALITÀ & PUREZZA ≥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

Panoramica

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.

Specifiche

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Tipo di azione

AGONIST

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488195867

Pubchem Sid Url

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

Sorrisi canonici

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+

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in ethanol (100 mM), and DMSO (~28 mg/ml). Insoluble in water.
• Indice di rifrazione: n20D1.54 (Predicted)
• Punto di ebollizione (°C): 405.08° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 109.67° C (Predicted)
• Peso molecolare: 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