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| Related CAS: | 152529-79-8 |
| IUPAC Name: | potassium;4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonate |
| Description: | PSB-1115 is a highly selective antagonist of the adenosine A2B receptor with Ki value of 53.4 nM. |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C14H13N4O5SK |
| Canonical SMILES: | CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)[O-].O.O.O.[K+] |
| InChI: | InChI=1S/C14H14N4O5S.K.3H2O/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);;3*1H2/q;+1;;;/p-1 |
| InChI Key: | NGCSVSRWWILLPQ-UHFFFAOYSA-M |
| Purity: | ≥ 98 % |
| Appearance: | Crystalline solid |
| LogP: | 1.47480 |
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