Batefenterol
Based on 1 Customer Validation
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.
- Purity: 99.72%
- CAS No.: 743461-65-6
- Formula: C40H42ClN5O7
- Molecular Weight:740.24
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Protocol
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
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mAChR2 |
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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.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| NCT Number | Sponsor | Condition | Start Date |
Phase
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|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 743461-65-6
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Appearance Solid
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Molecular Weight 740.24
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Formula C40H42ClN5O7
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Color Light yellow to yellow
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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
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Synonyms
GSK961081; TD-5959
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Solvent & Solubility
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.
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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.
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.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%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
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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.
Protocol
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.
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.
Purity & Documentation
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Data Sheet (278 KB)
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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)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
[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]
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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