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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
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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...
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