Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H10N2O |
Molecular Weight | 210.2313 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC(=CN=C1)C#CC2=CC=CC=N2
InChI
InChIKey=VRTFKUFTEWQHDD-UHFFFAOYSA-N
InChI=1S/C13H10N2O/c1-16-13-8-11(9-14-10-13)5-6-12-4-2-3-7-15-12/h2-4,7-10H,1H3
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/12565928Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/12877935
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12565928
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/12877935
Methoxy-PEPy is a selective ligand for the Metabotropic Glutamate Subtype 5 (mGlu5) Receptor. [3H]Methoxy-PEPy is used as a radiolabel to study mGlu5 R distribution and binding with other agents.
CNS Activity
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12877935
Curator's Comment: Known to be CNS penetrant in mice. Human data not available.
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12565928
Curator's Comment: # Merck Research Laboratories
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3227 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12565928 |
1.0 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
PubMed
Title | Date | PubMed |
---|---|---|
[3H]-methoxymethyl-MTEP and [3H]-methoxy-PEPy: potent and selective radioligands for the metabotropic glutamate subtype 5 (mGlu5) receptor. | 2003 Feb 10 |
|
In vivo receptor occupancy of mGlu5 receptor antagonists using the novel radioligand [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine). | 2003 Jul 18 |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12877935
For in vivo mGlu5 receptor occupancy study [3H]Methoxy-PEPy was administered to rats and mice intravenously at 50 microCi/kg.
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/12565928
The functional potency of compounds in vitro was assessed using an automated assay employing Ltk-cells stably expressing human recombinant mGlu5 receptors. This cell-based assay measures changes in cytosolic Ca2+ concentrations ([Ca2+]i) by fluorescence detection using the Ca2+-sensitive dye fura-2. Methoxy-PEPy is antagonist of mGlu5 receptor with IC50 of 1nM.
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524924-76-3
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0868W4SS6C
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SUBSTANCE RECORD