Art. -Nr.: HY-12980

Batefenterol

Name: Batefenterol
Brand: MedChemExpress
SKU: HY-12980
Price: 118.00 USD
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(Synonyms: GSK961081; TD-5959)

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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 K_i values of 1.4, 1.3 and 3.7 nM, respectively.

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Reinheit : 99.72%
CAS. Nr.: 743461-65-6
Formel: C₄₀H₄₂ClN₅O₇
Molecular Weight:740.24

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

Batefenterol Chemical Structure

CAS. Nr.: 743461-65-6

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Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Protokoll
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

mAChR2

mAChR3

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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 (K_i=1.4 nM), hM3 muscarinic receptors (K_i=1.3 nM) and hβ₂-adrenoceptors (K_i=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.

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

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS. Nr. 743461-65-6
Appearance Solid
Molecular Weight 740.24
Formel C₄₀H₄₂ClN₅O₇
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
Synonyms

GSK961081; TD-5959
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Lösungsmittel & Löslichkeit

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.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

1.3509 mL

6.7546 mL

13.5091 mL

5 mM

0.2702 mL

1.3509 mL

2.7018 mL

10 mM

0.1351 mL

0.6755 mL

1.3509 mL

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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

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

Stock Solution Working Solution

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.

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 Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Protokoll

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].

MedChemExpress (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].

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

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Hegde SS, 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. 2014 Oct;351(1):190-9. [Content Brief]

[2]. Hughes AD, et al. Discovery of (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 (TD-5959, GSK961081, batefenterol): first-in-class dual pharmacology multivalent muscarinic antagonist and β? agonist (MABA) for the treatment of chronic obstructive pulmonary disease (COPD). J Med Chem. 2015 Mar 26;58(6):2609-22. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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

Alle Adrenergic Receptor Isoform-spezifische Produkte anzeigen

Alle mAChR Isoform-spezifische Produkte anzeigen