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Chemical structure of PSB 1115

GC17756

PSB 1115

Also known as 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid

human A2B adenosine receptor antagonist

ChemicalCAS152529-79-8MW350.35FormulaC14H14N4O5S
CAS number
152529-79-8
Molecular weight
350.35
Formula
C14H14N4O5S
Solubility
＜38·84mg/ml in DMSO; ＜1mg/ml in Water
InChIKey
UYDRRQPGDSIMNU-UHFFFAOYSA-N
Catalogue number
GC17756
Brand
GLPBIO
Computed properties PubChem CID 5311479 · XLogP 0.7 · TPSA 141 Ų · H-bond donors 3
XLogP
0.7
TPSA
141 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

SMILES CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

Computed descriptors from PubChem (CID 5311479), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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