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Chemical structure of A2A receptor antagonist 1

GC30918

A2A receptor antagonist 1

Also known as 1-[(2-fluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine

A2A receptor antagonist 1 (CPI-444 analog) is an antagonist of both adenosine A2A receptor and A1 receptor with Ki values of 4 and 264 nM, respectively

ChemicalCAS443103-97-7MW309.3FormulaC16H12FN5O
CAS number
443103-97-7
Molecular weight
309.3
Formula
C16H12FN5O
Solubility
DMSO ： 62 mg/mL (200·45 mM)
InChIKey
JEEJMSUHUZNTCD-UHFFFAOYSA-N
Catalogue number
GC30918
Brand
GLPBIO
Computed properties PubChem CID 9879687 · XLogP 2.3 · TPSA 82.8 Ų · H-bond donors 1
XLogP
2.3
TPSA
82.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES C1=CC=C(C(=C1)CN2C3=NC(=NC(=C3C=N2)C4=CC=CO4)N)F

Computed descriptors from PubChem (CID 9879687), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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