Chemical Probes logo
BAY-6096 | BAY-6096 : Antagonist of ADRA2B
RATINGS:
Cellular Use: (2 reviews)

In Model Organisms: (2 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
Download

Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
ADRA2B
  • Ki:21 nM
  • IC50:14 nM
Antagonist
100 nM

Selectivity

In Vitro Selectivity Assessment
Potency Assay Off-Target:
Selectivity within target family: Adrenergic receptor panel (IC50): ADRA1A (5.516 µM; 394- fold), AD ...

Potency
Cellular
In Vitro

ADRA2B

Mode of Action: Antagonist

Structure-Activity-Relationship data available? No

DOI Reference: 10.1021/acs.jmedchem.2c01690

In Vivo Validations

Rat
Dose: 0.3 mg/Kg
Route of delivery: Intravenous
Plasma half life: 0.1 h MRT
Systemic clearance: 4.3 L/h/Kg
Fb : 21%
Volume of Distribution at Steady-State: 0.5 L/Kg

DOI Reference: 10.1021/acs.jmedchem.2c01690

Dog
Dose: 0.3 mg/Kg
Route of delivery: Intravenous
Plasma half life: 0.4 h MRT
Systemic clearance: 1.6 L/h/Kg
Fb : 18%
Volume of Distribution at Steady-State: 0.6 L/Kg

DOI Reference: 10.1021/acs.jmedchem.2c01690

Negative Control Compounds

BAY-726
Notes: BAY-726: human ADRA2B: IC50 = 7.1 µM (Cell-based assay); Clean adrenergic receptor panel
SMILES: Cc1c(c2cnc3cc(ccn23)C(NCCC[n+]2ccc(cc2)N(C)C)=O)c(C)on1.C([O-])=O

Chemical Information

Molecular Formula C21H23ClN6O2
SMILEs CNc1cc[n+](CCNC(=O)c2ccn3c(-c4c(C)noc4C)cnc3c2)cc1.[Cl-]
InChI InChI=1S/C21H22N6O2.ClH/c1-14-20(15(2)29-25-14)18-13-24-19-12-16(4-10-27(18)19)21(28)23-7-11-26-8-5-17(22-3)6-9-26;/h4-6,8-10,12-13H,7,11H2,1-3H3,(H,23,28);1H
Molecular weight 426.16 Da
AlogP 0.0
HBond acceptors 8
HBond donors 2
Atoms 53

Expert Reviews

by SERP
(on 12 Apr 2024 )
Cellular Use Rating
In Model Organisms
A highly potent, selective and aqueous soluble antagonist of alpha2B suitable for cell-based and in vivo studies (via the intravenous route).
by SERP+
(on 14 Oct 2025 )
Cellular Use Rating
In Model Organisms
The compound demonstrates excellent potency and selectivity in cells with the only drawback being low permeability. It has demonstrated adequate pharmacokinetic data to be a good probe for in vivo use...
Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria