SCH 58261   

GtoPdb Ligand ID: 403

Synonyms: SCH-58261 | SCH58261
Compound class: Synthetic organic
Comment: SCH 58261 is a selective adenosine A2A receptor antagonist used as a research tool compound [9]. Reports of its effect in models of Parkinson's disease have been published [2,7].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 100.06
Molecular weight 345.13
XLogP 3.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
Isomeric SMILES Nc1nc2n(CCc3ccccc3)ncc2c2n1nc(n2)c1ccco1
InChI InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
InChI Key UTLPKQYUXOEJIL-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine
Synonyms
SCH-58261 | SCH58261
Comments
SCH 58261 is a selective adenosine A2A receptor antagonist used as a research tool compound [9]. Reports of its effect in models of Parkinson's disease have been published [2,7].
Database Links
CAS Registry No. 160098-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL17127
GtoPdb PubChem SID 135651030
PubChem CID 176408
Search Google for chemical match using the InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UTLPKQYUXOEJIL
Search UniChem for chemical match using the InChIKey UTLPKQYUXOEJIL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UTLPKQYUXOEJIL
Wikipedia SCH-58261

Product suppliers

View disclaimer

Tocris
SCH 58261
Cat. No. 2270