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VU0477886

CAT: 0931-T29139-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29139-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1926222-30-1
Target
GluR, Others
Related Pathways
Others, Neuroscience
Bioactivity
VU0477886 is a potent mGlu4 positive allosteric modulator (PAM) with robust efficacy in a standard preclinical Parkinson's disease model, haloperidol-induced catalepsy (HIC) .
Smiles
O=C(C1=NC=CC=C1N)NC2=CC=C(N(C(C3=C4C=CC=C3)=O)C4=O)C(Cl)=C2
Molecular Formula
C20H13ClN4O3
Molecular Weight
392.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CAS Number1926222-30-1
PubChem CID127046557
IUPAC Name3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
Molecular FormulaC20H13ClN4O3
Molecular Weight392.8
XLogP3.1
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity621
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)N)Cl
InChI
InChI=1S/C20H13ClN4O3/c21-14-10-11(24-18(26)17-15(22)6-3-9-23-17)7-8-16(14)25-19(27)12-4-1-2-5-13(12)20(25)28/h1-10H,22H2,(H,24,26)
InChIKey
XBKGMJNNALFSAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CAS: 1926222-30-1
CID: 127046557
Formula: C20H13ClN4O3
MW: 392.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass392.0676180
Monoisotopic Mass392.0676180
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity621
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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