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PXT-012253

CAT: 0013-GTR19241368-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241368-02Size:10 mg
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Description
PXT-012253 is a PET imaging tracer targeting the allosteric site of mGluR4. It enables non-invasive investigation of this receptor's distribution and is applied in preclinical research for Parkinson's disease and levodopa-induced dyskinesia, supporting both in vivo and in vitro studies.
CAS Number
1835647-08-9
Field of Research
Neuroscience
Smiles
O=C (NC1=CC=C (Cl) C (SC) =C1) C2=NC=CC=C2
Molecular Formula
C13H11ClN2OS
Molecular Weight
278.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2B89FQ9Z4B
CAS Number1835647-08-9
PubChem CID164512894
IUPAC NameN-(4-chloro-3-methylsulfanylphenyl)pyridine-2-carboxamide
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76
XLogP3.2
Topological Polar Surface Area67.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity290
SMILES
CSC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl
InChI
InChI=1S/C13H11ClN2OS/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)
InChIKey
BWRWLAWESQPUSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2B89FQ9Z4B
CAS: 1835647-08-9
CID: 164512894
Formula: C13H11ClN2OS
MW: 278.76
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.76
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass278.0280618
Monoisotopic Mass278.0280618
Topological Polar Surface Area67.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity290
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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