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. Author manuscript; available in PMC: 2019 Dec 1.
Published in final edited form as: Biochem Pharmacol. 2018 Oct 4;158:103–113. doi: 10.1016/j.bcp.2018.10.003

Table 3:

Structures, efficacies (Emax), potencies (logEC50), and hA3AR binding affinities (Ki) of ten additional structural analogs tested in the stable hA3AR-NanoBit®-βarr2 HEK293T cell line.

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Compound R1 R2 R3 X Y  Z Stable A3AR
NanoBit® HEK293T cell lineA
  Ki (nM) ± SEM
Emax (%) LogEC50 ± SEM
 A. Ribose 5’-OH analogues
DCCA cyclopentyl Cl CH2OH CH - - 5.8 ± 0.2 −5.83 ± 0.07  244± 37
N6-benzyl-adenosine benzyl H CH2OH N - - 34.9 ± 2.3 −6.07 ± 0.13  41.7 ± 5.3
N6-phenyl-adenosine phenyl H CH2OH N - - 75.8 ± 3.0 −6.23 ± 0.0  14.9 ± 3.1
D. Methanocarba, 5’-amides, C2-extended
MRS5679 3-Cl-benzyl (4-phenyl-phenyl)ethynyl CONHCH3 N N N 46.8 ± 3.3 −5.92 ± 0.11  3.06 ± 1.35
MRS5967 CH3 (2-CH3O-phenyl)ethynyl CONHCH3 N N N 92.5 ± 2.4 −8.33 ± 0.06  0.77 ± 0.17
MRS5663 CH3 (2-Cl-phenyl)ethynyl CONHCH3 N N N 101.7 ± 3.6 −8.25 ± 0.08  0.58 ± 0.04
MRS5980 CH3 (5-Cl-thien-2-yl)ethynyl CONHCH3 N N N 95.0 ± 4.0 −8.71 ± 0.11  0.7 ± 0.11
MRS7154 (CH2)2CH3 (5-Cl-thien-2-yl)ethynyl CONHCH3 N N N 94.5 ± 4.8 −7.67 ± 0.11  1.1 ± 0.3
E. Methanocarba, deaza-adenine
MRS7173 CH3 (5-Cl-thien-2-yl)ethynyl CONHCH3 N CH N 78.2 ± 1.8 −7.26 ± 0.04  1.56 ± 0.2
MRS7232 CH3 (5-Cl-thien-2-yl)ethynyl CO2C2H5 N N N 13.6 ± 1.6 −7.30 ± 0.17  5.38 ± 0.03
A.

Emax is relative to that of reference agonist NECA