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Chemical structure of A3AR antagonist 5

GC74081

A3AR antagonist 5

Also known as N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

A3AR antagonist 5 (Compound 16) is a selective antagonist for human adenosine A3 receptor with an affinity pC of 4·542 μM

ChemicalCAS333436-43-4MW324.4FormulaC18H16N2O2S
CAS number
333436-43-4
Molecular weight
324.4
Formula
C18H16N2O2S
Solubility
DMSO : 125 mg/mL (385·33 mM; Need ultrasonic)
InChIKey
RZHUYMVTMZMVDE-UHFFFAOYSA-N
Catalogue number
GC74081
Brand
GLPBIO
Computed properties PubChem CID 1154672 · XLogP 3.7 · TPSA 79.5 Ų · H-bond donors 1
XLogP
3.7
TPSA
79.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23

SMILES COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC3=CC=CC=C3

Computed descriptors from PubChem (CID 1154672), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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