Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08FOT
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| Former ID |
DNC009736
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| Drug Name |
PSB-1115
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| Synonyms |
PSB 1115; 152529-79-8; PSB-1115; CHEMBL8565; 4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid; 4-(2,3,6,7-TETRAHYDRO-2,6-DIOXO-1-PROPYL-1H-PURIN-8-YL)-BENZENESULFONIC ACID; 4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid; 1-propyl-8-p-sulfophenylxanthine; PSB1115; AC1NSKPC; Tocris-2009; compound 17 [PMID: 11906291]; GTPL3286; SCHEMBL1223271; CHEBI:92848; DTXSID80415532; MolPort-003-983-852; ZINC3995486; 1-Propyl-8-(p-sulfophenyl)xanthine; BN0664; BDBM50042209
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C14H14N4O5S
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| Canonical SMILES |
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O
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| InChI |
1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
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| InChIKey |
UYDRRQPGDSIMNU-UHFFFAOYSA-N
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| CAS Number |
CAS 152529-79-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:92848
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3286). | |||
| REF 2 | 1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with... J Med Chem. 2009 Jul 9;52(13):3994-4006. | |||
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