A muscarinic receptor antagonist and β2-adrenergic receptor agonist
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Batefenterol

Item No. 21793

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[1,1'-biphenyl]-2-yl-carbamic acid, 1-[3-[[2-chloro-4-[[[(2R)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl]amino]methyl]-5-methoxyphenyl]amino]-3-oxopropyl]-4-piperidinyl ester
CAS Number
743461-65-6
Synonyms
  • GSK961081
  • TD-5959
Molecular Formula
C40H42ClN5O7
Formula Weight
740.2
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 1 mg/mlDMF:PBS (pH 7.2)(1:3): 0.25 mg/mlDMSO: 0.5 mg/ml
λmax
254, 293 nm
SMILES
ClC1=C(N([H])C(CCN2CCC(OC(N(C3=C(C4=CC=CC=C4)C=CC=C3)[H])=O)CC2)=O)C=C(OC)C(CN(C[C@H](O)C5=C(C=CC(N6[H])=O)C6=C(O)C=C5)[H])=C1
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
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

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    5 mg

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    10 mg

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    25 mg

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    Product 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).1,2 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).1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Hedge, S.S., Hughes, A.D., Chen, Y., et al. Pharmacologic characterization of GSK-961081 (TD-5959), a first-in-class inhaled bifunctional bronchodilator possessing muscarinic receptor antagonist and β2-adrenoceptor agonist properties. J. Pharmacol. Exp. Ther. 351(1), 190-199 (2014).