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Chemical structure of Adenosine receptor antagonist 2

GC65901

Adenosine receptor antagonist 2

Also known as 3-[4-amino-5-fluoro-6-[1-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-methylbenzonitrile

Adenosine receptor antagonist 2 is an orally active A2a/A2b adenosine receptor antagonist with IC50s of 1 nM and 3 nM, respectively· Adenosine receptor antagonist 2 has anti-tumor activity

ChemicalCAS2703054-47-9MW444.46FormulaC23H21FN8O
CAS number
2703054-47-9
Molecular weight
444.46
Formula
C23H21FN8O
InChIKey
SCLXIATZMRENPN-UHFFFAOYSA-N
Catalogue number
GC65901
Brand
GLPBIO
Computed properties PubChem CID 163196342 · XLogP 1.5 · TPSA 139 Ų · H-bond donors 2
XLogP
1.5
TPSA
139 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

SMILES CC1=C(C=CC=C1C2=NC(=C(C(=N2)N)F)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N

Computed descriptors from PubChem (CID 163196342), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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