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JNJ-46778212

CAT: 0804-HY-19559-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19559-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
JNJ-46778212 (VU 0409551) is an mGlu5 positive allosteric modulator with an EC50 of 260 nM.
CAS Number
1363281-27-9
Product Name Alternative
VU 0409551
UNSPSC
12352005
Hazard Statement
H301, H311, H331
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/JNJ-46778212.html
Purity
99.58
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1CCC2=C(OC(COC3=CC=CC=C3)=N2)C1)C4=CC=C(F)C=C4
Molecular Formula
C20H17FN2O3
Molecular Weight
352.36
Precautions
H301, H311, H331
References & Citations
[1]Conde-Ceide S, et al. Discovery of VU0409551/JNJ-46778212: An mGlu5 Positive Allosteric Modulator Clinical Candidate Targeting Schizophrenia. ACS Med Chem Lett. 2015 May 20;6 (6) :716-20.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MGluR5

Chemical Information

VU0409551

a positive allosteric modulator of mGlu5 receptors; structure in first source

CAS Number1363281-27-9
PubChem CID56846694
IUPAC Name(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone
Molecular FormulaC20H17FN2O3
Molecular Weight352.4
XLogP3
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity478
SMILES
C1CN(CC2=C1N=C(O2)COC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H17FN2O3/c21-15-8-6-14(7-9-15)20(24)23-11-10-17-18(12-23)26-19(22-17)13-25-16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKey
QUZLMKNNIUSREV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0409551
CAS: 1363281-27-9
CID: 56846694
Formula: C20H17FN2O3
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass352.12232057
Monoisotopic Mass352.12232057
Topological Polar Surface Area55.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity478
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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A20732-100JNJ-46778212 100mg
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