ABP 688 - ≥98%, mixture of isomers , CAS No.924298-51-1

CAS: 924298-51-1 Cat. No.: A287877 Molecular Weight: 240.3

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-oneO-methyloxime

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-oneO-methyloxime

Specifications & Purity

≥98%, mixture of isomers

Biochemical and Physiological Mechanisms

High affinity human mGlu5receptor antagonist (Ki= 1.7 nM). Inhibits glutamate-induced calcium release from L(tk-) cells expressing human mGlu5receptors (IC50= 2.3 nM).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197546
• Canonical Smiles: CC1=NC(=CC=C1)C#CC2=CC(=NOC)CCC2
• IUPAC Name: (E)-N-methoxy-3-[2-(6-methylpyridin-2-yl)ethynyl]cyclohex-2-en-1-imine
• InChIKey: CNNZLFXCUQLKOB-BMRADRMJSA-N
• INCHI: 1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
• Isomeric SMILES: CC1=NC(=CC=C1)C#CC2=C/C(=N/OC)/CCC2
• Molecular Weight: 240.3
• Reaxy-Rn: 10671875
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10671875&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Oxime ethers Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Oxime ether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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)

GRM5 Tchem Metabotropic glutamate receptor 5 (5 Activities)

Discover Target: GRM5

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

GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)

Discover Target: GRM1

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 24.03, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 12.02, Max Conc. mM: 50