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| 10mg |
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| 25mg |
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| Targets |
Barbadin targets the interaction between β-arrestin and β2-adaptin (AP2). It is a selective inhibitor of this protein-protein interaction. By blocking this interaction, it prevents agonist-promoted endocytosis of certain G protein-coupled receptors (GPCRs) without affecting β-arrestin recruitment to the receptor or other internalization pathways. It does not affect β-arrestin-independent (transferrin) or AP2-independent (endothelin-A) receptor internalization.
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| ln Vitro |
Four hours of barbadin administration cause apoptosis and decrease cell viability [2]. Treatment with barbadin for two hours can inhibit G0/G1 phase breast cancer cells [2].
In vitro, Barbadin is a selective inhibitor of β-arrestin/β2-adaptin interaction with IC₅₀ values of 19.1 μM and 15.6 μM for β-arrestin1 and β-arrestin2, respectively. It blocks agonist-promoted endocytosis of β2-adrenergic, V2-vasopressin, and angiotensin-II type-1 receptors. It does not affect β-arrestin-independent or AP2-independent receptor internalization. Barbadin causes apoptosis. |
| ln Vivo |
Specific in vivo data for Barbadin are not extensively detailed in the available literature. However, it enhances the long-term effects of lorcaserin on POMC neurons and weight loss in obesity research. It blocks agonist-promoted endocytosis of GPCRs, which may have implications for various physiological processes. It is a tool for studying β-arrestin-mediated receptor trafficking.
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| Enzyme Assay |
The activity of Barbadin can be assessed using cell-free protein-protein interaction assays. β-Arrestin and β2-adaptin (or their relevant domains) are incubated with varying concentrations of Barbadin. The inhibition of their interaction is measured using techniques such as ELISA, fluorescence polarization, or surface plasmon resonance. The IC₅₀ values are determined from dose-response curves.
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| Cell Assay |
Apoptosis analysis [2]
Cell Types: MDA MB-231 Cell Tested Concentrations: Incubation Duration: 4 hrs (hours) Experimental Results: Showing the morphological characteristics of apoptosis such as shrinkage, rounding, and shedding, the cell viability percentage diminished to 69.1%, and appeared at 29.9 Apoptosis. Percentage of EBSS (Earle's Balanced Salt Solution) starved cells. Cell cycle analysis [2] Cell Types: MDA MB-231 Cell Tested Concentrations: Incubation Duration: 2 hrs (hours) Experimental Results: G0/G1 phase cells were inhibited by 63.7%. To evaluate the cellular effects of Barbadin, cells expressing GPCRs (e.g., β2AR, V2R, AT1R) are treated with the compound. Agonist-promoted receptor endocytosis is assessed using fluorescently labeled receptors or by measuring receptor internalization using cell surface biotinylation assays. The effects on downstream signaling pathways and apoptosis are also evaluated. |
| Animal Protocol |
In vivo studies with Barbadin typically involve administration to animal models via oral or intraperitoneal routes. In models of obesity, its effects on weight loss and POMC neuron function are assessed. Its effects on GPCR signaling and receptor trafficking in various tissues can also be evaluated.
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| ADME/Pharmacokinetics |
Barbadin has a molecular formula and weight that are not specified in the available literature. Its CAS number is 356568-70-2. It is a selective inhibitor of β-arrestin/β2-adaptin interaction. It is soluble in DMSO and other organic solvents. The purity is typically >98%. It should be stored according to the manufacturer's instructions.
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| Toxicity/Toxicokinetics |
Specific toxicology data for Barbadin are not extensively detailed in the available literature. However, its use in animal models at effective doses suggests a degree of tolerability. As with all research compounds, standard safety precautions should be taken when handling Barbadin. It is intended for research use only and is not for human consumption.
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| References |
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| Additional Infomation |
Barbadin is a selective inhibitor of the β-arrestin/β2-adaptin interaction. It blocks agonist-promoted endocytosis of certain GPCRs without affecting β-arrestin recruitment. Barbadin has IC₅₀ values of 19.1 μM and 15.6 μM for β-arrestin1 and β-arrestin2, respectively. It is a research tool for studying GPCR trafficking, β-arrestin function, and apoptosis.
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| Molecular Formula |
C19H15N3OS
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| Molecular Weight |
333.406902551651
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| Exact Mass |
333.093
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| CAS # |
356568-70-2
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| PubChem CID |
727640
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| Appearance |
White to light yellow solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
24
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| Complexity |
483
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1N(N)C=NC2SC=C(C1=2)C1C=CC(CC2C=CC=CC=2)=CC=1
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| InChi Key |
OCBXPCSXEQQADU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H15N3OS/c20-22-12-21-18-17(19(22)23)16(11-24-18)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12H,10,20H2
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| Chemical Name |
3-amino-5-(4-benzylphenyl)thieno[2,3-d]pyrimidin-4-one
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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 |
| 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 : ~50 mg/mL (~149.97 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.50 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 (7.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9993 mL | 14.9966 mL | 29.9931 mL | |
| 5 mM | 0.5999 mL | 2.9993 mL | 5.9986 mL | |
| 10 mM | 0.2999 mL | 1.4997 mL | 2.9993 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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