2. GPCR/G Protein Neuronal Signaling
  3. Adrenergic Receptor mAChR
  4. Batefenterol

Batefenterol  (Synonyms: GSK961081; TD-5959)

Cat. No.: HY-12980 Purity: 98.30%
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Batefenterol (GSK961081;TD-5959) is a novel muscarinic receptor antagonist and β2-adrenoceptor agonist; displays high affinity for hM2, hM3 muscarinic and hβ2-adrenoceptor with Ki values of 1.4, 1.3 and 3.7 nM, respectively.

For research use only. We do not sell to patients.

Batefenterol Chemical Structure

Batefenterol Chemical Structure

CAS No. : 743461-65-6

Size Price Stock Quantity
Solid + Solvent
10 mM * 1 mL in DMSO
ready for reconstitution
 USD 301 In-stock
Solution
10 mM * 1 mL in DMSO USD 301 In-stock
Solid
1 mg USD 88 In-stock
5 mg USD 185 In-stock
10 mg USD 277 In-stock
50 mg USD 858 In-stock
100 mg USD 1307 In-stock
200 mg   Get quote  
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Based on 1 publication(s) in Google Scholar

Batefenterol Related Antibodies

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Description

Batefenterol (GSK961081;TD-5959) is a novel muscarinic receptor antagonist and β2-adrenoceptor agonist; displays high affinity for hM2, hM3 muscarinic and hβ2-adrenoceptor with Ki values of 1.4, 1.3 and 3.7 nM, respectively.

IC50 & Target

mAChR2

 

mAChR3

 

In Vitro

Batefenterol is a novel first-in-class inhaled bifunctional compound possessing both muscarinic antagonist (MA) and β2-adrenoceptor agonist (BA) properties (MABA). In competition radioligand binding studies at human recombinant receptors, batefenterol displays high affinity for hM2 (Ki=1.4 nM), hM3 muscarinic receptors (Ki=1.3 nM) and hβ2-adrenoceptors (Ki=3.7 nM). Batefenterol behaves as a potent hβ2-adrenoceptor agonist (EC50=0.29 nM for stimulation of cAMP levels) with 440- and 320-fold functional selectivity over hβ1- and hβ3-adrenoceptors, respectively[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Batefenterol Related Antibodies
In Vivo

In the guinea pig bronchoprotection assay, inhaled Batefenterol produces potent, dose-dependent inhibition of bronchoconstrictor responses via MA (ED50=33.9 μg/mL), BA (ED50=14.1 μg/mL), and MABA (ED50=6.4 μg/mL) mechanisms. Significant bronchoprotective effects of Batefenterol are evident in guinea pigs via MA, BA, and MABA mechanisms for up to 7 days after dosing[1]. In guinea pig isolated trachea expressing native muscarinic M3 and β2, batefenterol produces smooth muscle relaxation through a dual mechanism involving competitive antagonism of the M3 receptor (EC50=50 nM) and agonism of the β2 receptor (EC50=25 nM). The combined effect on both muscarinic receptors and β2 receptors is more potent than either function working alone (EC50=10 nM). Batefenterol exhibits a rapid rate of clearance and short half-life[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
Molecular Weight

740.24

Formula

C40H42ClN5O7
CAS No.
Appearance

Solid

Color

Light yellow to yellow

SMILES

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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 2 years
-20°C 1 year
Solvent & Solubility
In Vitro: 

DMSO : ≥ 100 mg/mL (135.09 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 1.3509 mL 6.7546 mL 13.5091 mL
5 mM 0.2702 mL 1.3509 mL 2.7018 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass
=
Concentration
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Volume
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Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 2.5 mg/mL (3.38 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% Corn Oil

    Solubility: ≥ 2.5 mg/mL (3.38 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 98.30%

COA (252 KB) HNMR (207 KB) LCMS (338 KB)

Handling Instructions (2659 KB)
References
Cell Assay
[1]

CHO-K1 cells stably transfected with each receptor subtype are incubated with increasing concentrations of batefenterol for 20 minutes at 37°C. The cells are stimulated with an EC90 concentration of the muscarinic agonist oxotremorine. Oxotremorine elicits a Gq-mediated calcium-release event, which in turn caused the calcium-sensitive dye to bind to calcium and fluoresce upon stimulation with a 488 nm laser light source. The change in fluorescence is measured by the FLIPR for 3 minutes, and the peak height in fluorescence is taken as the maximal response to generate the concentration-response curve for batefenterol[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Animal Administration
[1]

Guinea pigs: Batefenterol is dissolved in water. Guinea pig trachea is dissected and isolated. The tracheal rings are initially tensioned to 1 g and allowed to equilibrate for 1 hour before evoking contraction with a submaximal concentration of either methylcholine (MCh; 10 µM), in the presence of propranolol (10 µM), or histamine (HIS; 30 µM) to assess relaxant effects via MA and BA mechanisms, respectively. Relaxation through the MABA mechanism is evaluated in tissues precontracted with MCh in the absence of propranolol. After the contractile tone attained a plateau, the batefenterol (0.1 nM to 100 µM) is added cumulatively in half log increments, with each concentration being added after achieving a steady-state relaxation response to the previous concentration. After the last concentration of test compound, theophylline (2.2 mM) is added to establish maximum relaxation[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 1.3509 mL 6.7546 mL 13.5091 mL 33.7728 mL
5 mM 0.2702 mL 1.3509 mL 2.7018 mL 6.7546 mL
10 mM 0.1351 mL 0.6755 mL 1.3509 mL 3.3773 mL
15 mM 0.0901 mL 0.4503 mL 0.9006 mL 2.2515 mL
20 mM 0.0675 mL 0.3377 mL 0.6755 mL 1.6886 mL
25 mM 0.0540 mL 0.2702 mL 0.5404 mL 1.3509 mL
30 mM 0.0450 mL 0.2252 mL 0.4503 mL 1.1258 mL
40 mM 0.0338 mL 0.1689 mL 0.3377 mL 0.8443 mL
50 mM 0.0270 mL 0.1351 mL 0.2702 mL 0.6755 mL
60 mM 0.0225 mL 0.1126 mL 0.2252 mL 0.5629 mL
80 mM 0.0169 mL 0.0844 mL 0.1689 mL 0.4222 mL
100 mM 0.0135 mL 0.0675 mL 0.1351 mL 0.3377 mL
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Batefenterol Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Batefenterol743461-65-6GSK961081 TD-5959GSK 961081GSK-961081TD5959TD 5959TD-5959Adrenergic ReceptormAChRBeta ReceptorMuscarinic acetylcholine receptorInhibitorinhibitorinhibit

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