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Chemical structure of Adenosine receptor antagonist 3

GC66007

Adenosine receptor antagonist 3

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

Adenosine receptor antagonist 3 is a potent antagonist of adenosine receptor· Adenosine receptor antagonist 3 has the potential for the research of cancer disease (extracted from patent WO2019233994A1, compound 1)

ChemicalCAS2400864-80-2MW322.39FormulaC16H14N6S
CAS number
2400864-80-2
Molecular weight
322.39
Formula
C16H14N6S
Solubility
DMSO ： ≥ 125 mg/mL (387·73 mM)
InChIKey
XCADTDINRZIVIN-UHFFFAOYSA-N
Catalogue number
GC66007
Brand
GLPBIO
Computed properties PubChem CID 146268692 · XLogP 2.6 · TPSA 111 Ų · H-bond donors 1
XLogP
2.6
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23

SMILES CC1=CC(=CC=C1)CN2C=C3C(=NC(=NC3=N2)C4=NSC=C4)N

Computed descriptors from PubChem (CID 146268692), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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