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VU0285683

CAT: 0804-HY-103571-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103571-01Size:1 mg
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Description
VU0285683 is a selective mGluR5 positive allosteric modulator (PAM) . VU0285683 has anxiolytic-like activity in rodent models for anxiety[1].
CAS Number
327056-22-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/vu0285683.html
Purity
99.76
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
N#CC1=CC(C2=NC(C3=NC=CC=C3)=NO2)=CC(F)=C1
Molecular Formula
C14H7FN4O
Molecular Weight
266.23
Precautions
H302, H315, H319, H335
References & Citations
[1]Alice L Rodriguez, et al. Discovery of novel allosteric modulators of metabotropic glutamate receptor subtype 5 reveals chemical and functional diversity and in vivo activity in rat behavioral models of anxiolytic and antipsychotic activity. Mol Pharmacol. 2010 Dec;78 (6) :1105-23.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

VU0285683
CAS Number327056-22-4
PubChem CID9816778
IUPAC Name3-fluoro-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
Molecular FormulaC14H7FN4O
Molecular Weight266.23
XLogP1.9
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity385
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F
InChI
InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H
InChIKey
GELAFISMURFRCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0285683
CAS: 327056-22-4
CID: 9816778
Formula: C14H7FN4O
MW: 266.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.23
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass266.06038902
Monoisotopic Mass266.06038902
Topological Polar Surface Area75.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
532901VU0285683

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