| Identification | Back Directory | [Name]
1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE | [CAS]
524944-72-7 | [Synonyms]
PSB 36
1-Butyl-3-(3-hydroxypropyl)-8-(3-noradamantyl)xanthine
1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE
1H-Purine-2,6-dione, 1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-3-(3-hydroxypropyl)- | [Molecular Formula]
C21H30N4O3 | [MDL Number]
MFCD08703092 | [MOL File]
524944-72-7.mol | [Molecular Weight]
386.49 |
| Chemical Properties | Back Directory | [Boiling point ]
646.0±61.0 °C(Predicted) | [density ]
1.304±0.06 g/cm3(Predicted) | [storage temp. ]
Desiccate at +4°C | [solubility ]
DMSO: ≥20mg/mL | [form ]
powder | [pka]
9.17±0.70(Predicted) | [color ]
white to tan | [InChI]
1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)/t13-,14+,15-,21- | [InChIKey]
CIBIXJYFYPFMTN-FZUGUKJMSA-N | [SMILES]
CCCCN1C(=O)N(CCCO)c2nc([nH]c2C1=O)C34C[C@@H]5C[C@@H](C[C@H]3C5)C4 |
| Hazard Information | Back Directory | [Uses]
PSB36 was used to examine the role of A1-adenosine receptor-mediated cell signaling in CD39 expression in pancreatic b-cells of streptozotocin-induced diabetic mice. | [Definition]
ChEBI: LSM-1748 is an oxopurine. | [Biological Activity]
Potent and selective A 1 adenosine receptor antagonist. Displays binding affinities of 0.12, 187, 552, 6500 and 2300 nM for rA 1 , hA 2B , rA 2A , rA 3 and hA 3 receptors respectively. Demonstrates greater selectivity than DPCPX (8-Cyclopentyl-1,3-dipropylxanthine ). | [IC 50]
rA1: 0.12 nM (Ki); hA2B: 187 nM (Ki); rA2A: 552 nM (Ki); hA3: 2300 nM (Ki); rA3: 6500 nM (Ki) |
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BOC Sciences
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Merck KGaA
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www.sigmaaldrich.cn |
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