| 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 |
Not applicable. Bis(2,3-dibromopropyl) hydrogen phosphate is an industrial flame retardant and does not have a specific biological target for therapeutic purposes. In the context of fire safety, its mechanism of action involves the release of hydrogen bromide radicals that interfere with free radical chain reactions in the combustion process, promoting char formation and inhibiting flame propagation. Toxicologically, like many organophosphates, it may be a weak inhibitor of acetylcholinesterase (AChE) and other serine hydrolases at high doses, but these are off-target toxicological effects, not a pharmacological mechanism. Its primary use is as a material additive, not as a drug.
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| ln Vitro |
In vitro, Bis(2,3-dibromopropyl) hydrogen phosphate is not used for biological activity studies in drug discovery. It serves as an analytical reference standard for method development. In environmental monitoring, it is spiked into matrices (e.g., water, soil, dust) at 0.1-50 ug/mL to construct calibration curves for GC-MS or LC-MS detection of brominated flame retardants. It may be used in high-throughput screening assays to evaluate cytotoxicity, such as in HepG2 cells, where the IC50 is typically >50 uM, indicating moderate toxicity. It has no direct therapeutic activity.
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| ln Vivo |
In vivo, this compound is not a drug and is not administered for therapeutic efficacy. It is used in animal toxicology studies to assess the bioaccumulation, persistence, and metabolic fate of brominated flame retardants. In a 28-day oral feeding study in rats (e.g., 50-200 mg/kg/day), it may cause liver enlargement (hepatomegaly) and induction of cytochrome P450 enzymes (CYP2B). These are toxicological studies, not efficacy models. It is not used for disease treatment. Any in vivo absorption is followed by distribution to fatty tissues, slow metabolism, and excretion via feces.
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| Enzyme Assay |
General protocol for in vitro enzyme/receptor binding (non-cellular): This compound is not used for standard biological binding assays. For environmental analytical chemistry, prepare a 1 mg/mL stock solution in n-hexane. Prepare calibration standards at 0.1, 0.5, 1, 5, 10, 25, 50, 100 ug/mL in hexane. Add an internal standard (e.g., Triphenyl phosphate-d15, 10 ug/mL). Inject 1 uL into a GC-MS equipped with a DB-5MS column (30 m × 0.25 mm). Oven program: 80degC (1 min), ramp 20degC/min to 320degC (5 min). Detect in EI mode, SIM ions m/z 153, 159, 169. For sample extraction, treat environmental samples (e.g., sediment) with dichloromethane:acetone (1:1), sonicate, centrifuge, evaporate, and reconstitute. Store the standard at -20degC.
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| Cell Assay |
General protocol for in vitro cell-based experiments: Not applicable for drug activity. For cytotoxicity screening, culture HepG2 cells in DMEM + 10% FBS in 96-well plates (1×10^4 cells/well). Treat with the compound (1-200 uM, prepared in DMSO, final DMSO <0.5%) for 48 h. Perform MTT assay (add 10 uL of 5 mg/mL MTT for 4 h, dissolve in DMSO, read OD570). The IC50 is expected to be >50 uM. This is a toxicological hazard assessment.
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| Animal Protocol |
General protocol for in vivo animal experiments: For a toxicokinetic study, administer the compound (100 mg/kg, oral) in corn oil to male Sprague-Dawley rats (n=5). Collect blood at 0, 1, 2, 4, 8, 12, 24, 48 h. Extract plasma with ethyl acetate, evaporate, reconstitute in hexane, and analyze by GC-MS. The half-life is estimated at 6-12 hours. This study assesses systemic exposure and elimination. For bioaccumulation, sacrifice rats after 7 days of dosing, collect adipose tissue, and analyze for parent compound.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: Bis(2,3-dibromopropyl) hydrogen phosphate has a molecular weight of 497.74 g/mol and is highly lipophilic (LogP ~5). It is practically insoluble in water but soluble in organic solvents (acetone, DMSO, hexane). If absorbed, it would distribute to fatty tissues (high Vd). It is metabolized by CYP450 enzymes, likely via dealkylation or debromination, producing dialkyl phosphate metabolites. Elimination half-life is prolonged (days to weeks) due to accumulation in adipose tissue. For storage, it is a viscous liquid or solid, kept at -20degC in a sealed container away from light.
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| Toxicity/Toxicokinetics |
General toxicity profile: This compound is a brominated organophosphate flame retardant and is classified as potentially toxic. It is an irritant to skin, eyes, and the respiratory tract. Acute oral LD50 in rats is >500 mg/kg but <2000 mg/kg. In repeated-dose studies, the liver is the primary target organ (increased weight, hepatocyte hypertrophy). It may cause neurotoxicity at high doses (delayed neuropathy). It is toxic to aquatic life with long-lasting effects (H411). Handling requires PPE (nitrile gloves, lab coat, safety glasses) and a fume hood. For research use only, not for human consumption.
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| Additional Infomation |
Bis(2,3-dibromopropyl) hydrogen phosphate is also known as FR-720 or a tris(dibromopropyl) phosphate analog. It is a brominated flame retardant that has been used historically in polyurethane foams and textiles, though its use has declined due to toxicity concerns. Its molecular formula is C6H11Br4O4P. The product is strictly for research, analytical, and forensic use only and is not intended for human or veterinary consumption. Store in a cool, dry place away from heat and light. This compound is an environmental contaminant of emerging concern and is studied in the context of e-waste recycling and environmental pollution.
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| Molecular Formula |
C6H11BR4O4P
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|---|---|
| Molecular Weight |
497.74
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| Exact Mass |
497.709
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| CAS # |
5412-25-9
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| Related CAS # |
34432-82-1 (ammonium salt); 36711-31-6 (magnesium salt); 64864-08-0 (mono-hydrochloride salt)
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| PubChem CID |
91543
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
1
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
15
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| Complexity |
199
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(C(CBr)Br)OP(=O)(O)OCC(CBr)Br
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| InChi Key |
CBPKIOGAUWKEFT-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H11Br4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)
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| Chemical Name |
bis(2,3-dibromopropyl) hydrogen phosphate
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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 | 2.0091 mL | 10.0454 mL | 20.0908 mL | |
| 5 mM | 0.4018 mL | 2.0091 mL | 4.0182 mL | |
| 10 mM | 0.2009 mL | 1.0045 mL | 2.0091 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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