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Key Documents

SML3230

Sigma-Aldrich

VU0360172 hydrochloride

≥98% (HPLC)

Synonym(s):

N-cyclobutyl-6-((3-fluorophenyl)ethynyl)nicotinamide hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C18H15FN2O · HCl
CAS Number:
Molecular Weight:
330.78
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

Assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear (warmed)

storage temp.

−20°C

SMILES string

FC1=CC=CC(C#CC2=NC=C(C=C2)C(NC3CCC3)=O)=C1.Cl

InChI

1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17;/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22);1H

InChI key

NBGAPTWZQXSEAA-UHFFFAOYSA-N

General description

VU0360172 is a potent (EC50 = 16.6 nM), systemically active positive allosteric modulator (PAM) of the metabotropic glutamate receptor subtype 5 (mGlu5). It is the first orally active mGlu5 PAM to be efficacious in an in vivo preclinical antipsychotic model, producing a dose-dependent reversal of amphetamine-induced hyperlocomotion. It was also found to reduce spontaneous absence seizures in WAG/Rij rats and to inhibit pain. Reduced spontaneous spike and wave discharges without impacting motor behavior in a rat model of absence epilepsy have been observed.

Biochem/physiol Actions

VU0360172 is a potent (EC50 = 16.6 nM), systemically active positive allosteric modulator (PAM) of the metabotropic glutamate receptor subtype 5 (mGlu5). It is the first orally active mGlu5 PAM to be efficacious in an in vivo preclinical antipsychotic model, producing a dose-dependent reversal of amphetamine-induced hyperlocomotion. It was also found to reduce absence seizures in WAG/Rij rats and to inhibit pain.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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