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Chemical structure of A2B receptor antagonist 1

GC31974

A2B receptor antagonist 1

Also known as 8-(1-benzylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione

A2B receptor antagonist 1 is a potent A2B adenosine receptor antagonist extracted from patent WO 2009157938 A1 EXAMPLE 9B

ChemicalCAS531506-36-2MW392.45FormulaC21H24N6O2
CAS number
531506-36-2
Molecular weight
392.45
Formula
C21H24N6O2
Solubility
Soluble in DMSO
InChIKey
IWZAITCKZZQXCV-UHFFFAOYSA-N
Catalogue number
GC31974
Brand
GLPBIO
Computed properties PubChem CID 9821879 · XLogP 3.9 · TPSA 87.1 Ų · H-bond donors 1
XLogP
3.9
TPSA
87.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
29

SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=CC=C4

Computed descriptors from PubChem (CID 9821879), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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