| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Not applicable. 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate is a flame retardant additive. It does not have a specific biological receptor target. It is a potential endocrine disruptor (may interact with PPARgamma or thyroid hormone receptors) and can induce CYP450 enzymes. It is not used for therapeutic purposes.
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|---|---|
| ln Vitro |
In vitro, this compound is used as an analytical standard (GC-MS). For cytotoxicity screening, it has an IC50 > 50 uM in HepG2 cells (MTT). It is an activator of the pregnane X receptor (PXR) at high concentrations (>10 uM). It is not used in enzyme assays for drug discovery.
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| ln Vivo |
In vivo, this compound is not a drug. It is studied as an environmental pollutant. In a 28-day rat feeding study (100 mg/kg), it caused liver enlargement and induction of CYP2B. It is not used for therapeutic efficacy.
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| Enzyme Assay |
General protocol for in vitro analytical use: For GC-MS analysis, extract dust or soil samples with hexane:acetone (1:1). Prepare calibration standards in hexane (0.1-10 ug/mL). Use a DB-5 column (15 m) with high temperature. GC-MS in EI mode, monitor m/z 453, 391, 311 (for Br patterns). For LC-MS, use APCI in negative mode. The compound is stored at room temperature.
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| Cell Assay |
General protocol for in vitro cell-based experiments: For PXR activation, culture HepG2 cells with a CYP3A4 luciferase reporter. Treat with the compound (1-50 uM) for 24 h. Measure luciferase. The compound may activate PXR (EC50 ~20 uM).
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| Animal Protocol |
General protocol for in vivo animal experiments: For a toxicokinetic study, administer the compound (100 mg/kg, oral) to rats. Collect feces for 72 h. Extract and analyze by GC-MS to measure excretion. The compound is poorly absorbed (<50%).
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This is a highly lipophilic viscous liquid (MW 549.92). It is insoluble in water. It accumulates in adipose tissue and has a long half-life (>30 days). For storage, keep at room temperature.
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| Toxicity/Toxicokinetics |
General toxicity profile: It is an irritant. It is toxic to aquatic life (LC50 < 1 mg/L). Standard safety precautions for brominated flame retardants apply.
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| References | |
| Additional Infomation |
Structure in the first source
EH-TBB is a reference standard for environmental analysis. For research use only. |
| Molecular Formula |
C15H18BR4O2
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|---|---|
| Molecular Weight |
549.92
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| Exact Mass |
549.8
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| CAS # |
183658-27-7
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| Related CAS # |
2-Ethylhexyl 2,3,4,5-tetrabromobenzoate-13C6,d17
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| PubChem CID |
71316600
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| Appearance |
Colorless to light yellow Thick liquid
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
21
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| Complexity |
327
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br
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| InChi Key |
HVDXCGSGEQKWGB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3
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| Chemical Name |
2-ethylhexyl 2,3,4,5-tetrabromobenzoate
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8184 mL | 9.0922 mL | 18.1845 mL | |
| 5 mM | 0.3637 mL | 1.8184 mL | 3.6369 mL | |
| 10 mM | 0.1818 mL | 0.9092 mL | 1.8184 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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