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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
Structure of 3-METHOXY-5-(2-PYRIDINYLETHYNYL)PYRIDINE

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

HIDE SMILES / InChI

Molecular Formula C13H10N2O
Molecular Weight 210.2313
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
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

Curator's Comment: Known to be CNS penetrant in mice. Human data not available.

Originator

Curator's Comment: # Merck Research Laboratories

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
[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

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
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.
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:31:13 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:13 GMT 2023
Record UNII
0868W4SS6C
Record Status Validated (UNII)
Record Version
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Name Type Language
3-METHOXY-5-(2-PYRIDINYLETHYNYL)PYRIDINE
Systematic Name English
PYRIDINE, 3-METHOXY-5-(2-(2-PYRIDINYL)ETHYNYL)-
Systematic Name English
3-METHOXY-5-(2-(2-PYRIDINYL)ETHYNYL)PYRIDINE
Systematic Name English
3-METHOXY-5-PYRIDIN-2-YLETHYNYLPYRIDINE
Systematic Name English
METHOXY-PEPY
Common Name English
MPEPY
Common Name English
Code System Code Type Description
PUBCHEM
10081842
Created by admin on Sat Dec 16 17:31:14 GMT 2023 , Edited by admin on Sat Dec 16 17:31:14 GMT 2023
PRIMARY
CAS
524924-76-3
Created by admin on Sat Dec 16 17:31:14 GMT 2023 , Edited by admin on Sat Dec 16 17:31:14 GMT 2023
PRIMARY
FDA UNII
0868W4SS6C
Created by admin on Sat Dec 16 17:31:14 GMT 2023 , Edited by admin on Sat Dec 16 17:31:14 GMT 2023
PRIMARY
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