| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
TRα1/TRβ1[1]
Debutyldronedarone hydrochloride targets the thyroid hormone receptor α1 (TRα1) and TRβ1. It inhibits T3 binding to TRα1 and TRβ1 by 77% and 25%, respectively. As a selective TRα1 inhibitor, it modulates thyroid hormone signaling. The compound is the main circulating active metabolite of dronedarone in humans. It is formed from dronedarone by cytochrome P450s. Its inhibition of TRα1 may contribute to the pharmacological effects of dronedarone. |
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| ln Vitro |
In vitro, Debutyldronedarone hydrochloride inhibits T3 binding to TRα1 and TRβ1 by 77% and 25%, respectively. These data demonstrate its selectivity for TRα1 over TRβ1. The compound is used in cell-based assays to investigate its effects on thyroid hormone receptor signaling. Its inhibitory activity makes it useful for studying the role of TRα1 in various physiological and pathological processes. The compound is supplied for research purposes only.
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| ln Vivo |
In vivo, Debutyldronedarone hydrochloride is the main metabolite of dronedarone and is the major circulating active metabolite in humans. It can be used for the research of arrhythmias. Its in vivo effects are related to its ability to inhibit TRα1. The compound's role as a metabolite of dronedarone suggests it contributes to the parent drug's pharmacological and toxicological profile. Specific in vivo efficacy data are not detailed in the available sources.
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| Enzyme Assay |
Non-cell-based enzyme/receptor binding assays for Debutyldronedarone hydrochloride typically involve competitive binding studies using purified thyroid hormone receptor α1 (TRα1) and TRβ1 proteins. Standard protocols include incubating varying concentrations of the test compound with the receptor ligand-binding domain and a radiolabeled thyroid hormone (e.g., [¹²⁵I]-T3) in appropriate buffer systems, followed by separation of bound from free ligand via filtration or charcoal adsorption. Binding inhibition percentages are calculated. The compound inhibits T3 binding to TRα1 and TRβ1 by 77% and 25%, respectively.
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| Cell Assay |
Cell-based assays for Debutyldronedarone hydrochloride typically utilize cell lines expressing thyroid hormone receptors (TRα1 and TRβ1) and a luciferase reporter gene. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.01-10 μM) and thyroid hormone (T3) for 18-24 hours. Reporter gene activity is quantified by luminescence. The compound's ability to inhibit T3-induced transcriptional activation is assessed. IC₅₀ values are calculated from dose-response curves. The compound is used for studying TRα1 inhibition.
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| Animal Protocol |
In vivo animal studies for Debutyldronedarone hydrochloride typically involve administration in rodent models to study its effects on thyroid hormone signaling or arrhythmias. Standard protocols include dosing at ranges of 1-50 mg/kg body weight via oral gavage, intraperitoneal injection, or intravenous injection, with observations over 7-14 days depending on the study objectives. Pharmacodynamic assessments may include blood sampling for compound and hormone analysis, electrocardiogram (ECG) monitoring for arrhythmia assessment, and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for Debutyldronedarone hydrochloride are consistent with it being the main metabolite of dronedarone. The compound has a molecular weight of 537.11 g/mol and shows solubility in DMSO (≥100 mg/mL). It should be stored at 4°C, sealed, away from moisture; in solvent at -80°C for 6 months or -20°C for 1 month. For in vivo administration, formulations using suitable vehicles may be employed. Definitive PK parameters require formal studies.
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| References | |
| Additional Infomation |
Debutyldronedarone hydrochloride (SR35021 hydrochloride) is the main metabolite of the antiarrhythmic agent dronedarone and a selective TRα1 inhibitor. It inhibits T3 binding to TRα1 and TRβ1 by 77% and 25%, respectively. It can be used for the research of arrhythmias. It is the main circulating active metabolite of dronedarone in humans. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes.
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| Molecular Formula |
C27H37CLN2O5S
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|---|---|
| Molecular Weight |
537.11
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| Exact Mass |
536.211
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| CAS # |
197431-02-0
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| Related CAS # |
Debutyldronedarone-d7;Debutyldronedarone-d6 hydrochloride;1346598-70-6
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| PubChem CID |
71315590
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| Appearance |
White to light yellow solid powder
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| LogP |
7.883
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
36
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| Complexity |
732
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCNCCCC.Cl
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| InChi Key |
ZDXBTJLIQYUYSZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H36N2O5S.ClH/c1-4-6-9-25-26(23-19-21(29-35(3,31)32)12-15-24(23)34-25)27(30)20-10-13-22(14-11-20)33-18-8-17-28-16-7-5-2;/h10-15,19,28-29H,4-9,16-18H2,1-3H3;1H
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| Chemical Name |
N-[2-butyl-3-[4-[3-(butylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ≥ 100 mg/mL (186.18 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.65 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.65 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (4.65 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8618 mL | 9.3091 mL | 18.6182 mL | |
| 5 mM | 0.3724 mL | 1.8618 mL | 3.7236 mL | |
| 10 mM | 0.1862 mL | 0.9309 mL | 1.8618 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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