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MPEP HCl 50mg

CAT: 0628-A13236-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A13236-50Size:50 mg
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CAS Number
219911-35-0

Chemical Information

2-Methyl-6-(phenylethynyl)pyridine hydrochloride

2-methyl-6-(phenylethynyl)pyridine hydrochloride is a hydrochloride salt obtained by reaction of 2-methyl-6-(phenylethynyl)pyridine with one equivalent of hydrochloric acid. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw. It has a role as an anxiolytic drug and a metabotropic glutamate receptor antagonist. It contains a 2-methyl-6-(phenylethynyl)pyridinium(1+).

CAS Number219911-35-0
PubChem CID9794588
IUPAC Name2-methyl-6-(2-phenylethynyl)pyridine;hydrochloride
Molecular FormulaC14H12ClN
Molecular Weight229.70
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity251
SMILES
CC1=NC(=CC=C1)C#CC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H
InChIKey
PKDHDJBNEKXCBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-6-(phenylethynyl)pyridine hydrochloride
CAS: 219911-35-0
CID: 9794588
Formula: C14H12ClN
MW: 229.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass229.0658271
Monoisotopic Mass229.0658271
Topological Polar Surface Area12.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity251
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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