DMeOB - ≥98% , CAS No.40252-74-2

CAS: 40252-74-2 Cat. No.: D335880 Molecular Weight: 268.31 EC Number: 637-036-7

GRADE & PURITY ≥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

Overview

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.

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195867
• Canonical Smiles: 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+
• Isomeric SMILES: COC1=CC=CC(=C1)/C=N/N=C/C2=CC(=CC=C2)OC
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol (100 mM), and DMSO (~28 mg/ml). Insoluble in water.
• Refractive Index: n20D1.54 (Predicted)
• Boil Point(°C): 405.08° C at 760 mmHg (Predicted)
• Melt Point(°C): 109.67° C (Predicted)
• Molecular Weight: 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