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VU0477573

CAT: 0804-HY-115483-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115483-02Size:50 mg
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Description
VU0477573 is a brain-penetrant partial negative allosteric modulator of metabotropic glutamate receptor subtype 5 (mGluR5) . VU0477573 exhibits neuroprotective and anxiolytic effects. VU0477573 can be used for the research of neurological disease, such as Parkinson disease[1].
CAS Number
1946021-40-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MGluR
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Purity
97.65
Smiles
O=C(N(CC)CC)C1=NC=C(C=C1)C#CC2=CC(F)=CC=C2
Molecular Formula
C18H17FN2O
Molecular Weight
296.34
Precautions
H302, H315, H319, H335
References & Citations
[1]Nickols HH, et al. VU0477573: Partial Negative Allosteric Modulator of the Subtype 5 Metabotropic Glutamate Receptor with In Vivo Efficacy. J Pharmacol Exp Ther. 2016 Jan;356 (1) :123-36.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MGluR5

Chemical Information

N,N-diethyl-5-((3-fluorophenyl)ethynyl)picolinamide

a negative allosteric modulator of mGlu5 receptor; structure in first source

CAS Number1946021-40-4
PubChem CID70789090
IUPAC NameN,N-diethyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
Molecular FormulaC18H17FN2O
Molecular Weight296.3
XLogP3.5
Topological Polar Surface Area33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity435
SMILES
CCN(CC)C(=O)C1=NC=C(C=C1)C#CC2=CC(=CC=C2)F
InChI
InChI=1S/C18H17FN2O/c1-3-21(4-2)18(22)17-11-10-15(13-20-17)9-8-14-6-5-7-16(19)12-14/h5-7,10-13H,3-4H2,1-2H3
InChIKey
OIRFCCGPRDHQIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-diethyl-5-((3-fluorophenyl)ethynyl)picolinamide
CAS: 1946021-40-4
CID: 70789090
Formula: C18H17FN2O
MW: 296.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.3
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass296.13249133
Monoisotopic Mass296.13249133
Topological Polar Surface Area33.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity435
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

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