Batefenterol

InvivoChem Cat #:V3626CAS #:743461-65-6Purity >=98%

Description: Batefenterol (formerly known as GSK961081 and TD-5959) is a novel, potent and selective muscarinic receptor antagonist and beta2-adrenoceptor agonist; it displays high affinity for hM2, hM3 muscarinic and hbeta2-adrenoceptor with Ki values of 1.4, 1.3 and 3.7 nM, respectively. In a phase 2b trial, batefenterol produced statistical and clinically significant differences compared to placebo and numerically greater improvements in the primary end point of trough FEV1 compared to salmeterol after 4 weeks of dosing in patients with moderate to severe chronic obstructive pulmonary disease (COPD).

References: J Pharmacol Exp Ther. 2014 Oct; 351(1):190-9.; J Med Chem. 2015 Mar 26; 58(6):2609-22.

Related CAS#: 945905-37-3(succinate)

-20C for 3 years in powder form

Synonym: TD-5959; TD 5959; TD5959; GSK961081; GSK-961081; GSK 961081; 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
InChi Key: URWYQGVSPQJGGB-DHUJRADRSA-N
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
SMILES Code: O=C(OC1CCN(CCC(NC2=CC(OC)=C(CNC[CH](O)C3=CC=C(O)C4=C3C=CC(N4)=O)C=C2Cl)=O)CC1)NC5=CC=CC=C5C6=CC=CC=C6