Batefenterol

Chemical Name:

"(R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate Batefenterol Succinate"

SMILES Code: 

O=C(OC1CCN(CCC(NC2=CC(OC)=C(CNC[C@H](O)C3=CC=C(O)C4=C3C=CC(N4)=O)C=C2Cl)=O)CC1)NC5=CC=CC=C5C6=CC=CC=C6

InChi Code:

InChI=1S/C40H42ClN5O7/c1-52-36-22-33(31(41)21-26(36)23-42-24-35(48)29-11-13-34(47)39-30(29)12-14-37(49)45-39)43-38(50)17-20-46-18-15-27(16-19-46)53-40(51)44-32-10-6-5-9-28(32)25-7-3-2-4-8-25/h2-14,21-22,27,35,42,47-48H,15-20,23-24H2,1H3,(H,43,50)(H,44,51)(H,45,49)/t35-/m0/s1

InChi Key:

URWYQGVSPQJGGB-DHUJRADRSA-N

Keyword:

Batefenterol, TD-5959, GSK961081, 743461-65-6, GSK-961081, GSK 961081, TD5959, TD 5959, 743461-65-6

Solubility: Soluble in DMSO

Storage: 0 - 4°C for short term (days to weeks), or -20°C for long term (months)

Description: 

Batefenterol is a muscarinic antagonist and β2-adrenergic receptor (β2-AR) agonist (Kis = 1.4, 1.3, and 3.7 nM, for hM2, hM3, and hβ2-AR, respectively in a radioligand binding assay). Batefenterol exhibits potent hβ2-AR agonist activity (EC50 = 0.29 nM) with 440- and 320-fold functional selectivity over hβ1- and hβ3-ARs, respectively.1 Batefenterol induces smooth muscle relaxation (EC50 = 11 nM) in isolated guinea pig tracheal tissue and inhibits bronchoconstrictor response in a guinea pig bronchoprotection assay (ED50 = 6.4 µg/mL). Formulations containing batefenterol are in clinical trials to treat chronic obstructive pulmonary disease (COPD).

Target: β2-adrenoceptor