| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
4-(1-Methylethyl)phenyl diphenyl phosphate is an industrial flame retardant and does not have a specific biological target for therapeutic purposes. As a flame retardant, it acts by releasing phosphoric acid radicals to quench free radicals in the gas phase and promote char formation. Toxicologically, it is studied as an environmental contaminant. It is a weak inhibitor of acetylcholinesterase (AChE) at high concentrations, but this is an off-target effect. It is not intended to bind to any receptor or enzyme for pharmacological benefit.
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| ln Vitro |
In vitro, this compound is not used for biological activity. It is an analytical standard. For GC-MS analysis, it is dissolved in n-hexane (1 mg/mL). Calibration standards are prepared at 0.1-50 ug/mL. It is used to quantify PFRs in environmental samples (dust, water). It may show weak anti-androgenic activity in an AR reporter assay (MDA-kb2) at very high concentrations (100 uM). It is not used for drug screening.
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| ln Vivo |
In vivo, this compound is not administered for therapeutic purposes. It is used in animal studies as a model compound to investigate the bioaccumulation of organophosphate flame retardants. In a 28-day feeding study in rats (e.g., 100 mg/kg/day), it may cause liver enlargement (hepatomegaly). It is not used in efficacy models.
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| Enzyme Assay |
General protocol for in vitro analytical use: Prepare a 1 mg/mL stock solution in n-hexane. Prepare calibration standards in hexane at 0.1, 0.5, 1, 5, 10, 25, 50, 100 ug/mL. Add internal standard (e.g., Triphenyl phosphate-d15, 10 ug/mL). Inject 1 uL into a GC-MS with DB-5MS column (30 m × 0.25 mm). Oven program: 80degC (1 min), ramp 20degC/min to 320degC (5 min). EI detection, SIM ions m/z 368 (M+), 251. For LC-MS, use C18 with water:acetonitrile (0.1% formic acid), positive mode, m/z 369 [M+H]+. Store the compound at room temperature.
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| Cell Assay |
General protocol for in vitro cell-based experiments: For androgen receptor antagonism, culture MDA-kb2 cells. Treat with the compound (1-100 uM) and 1 nM DHT. After 24 h, measure luciferase. The compound may show weak inhibition at 100 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) in corn oil to rats. Collect blood at 0, 1, 2, 4, 8, 12, 24, 48 h. Extract plasma with ethyl acetate, analyze by GC-MS. Half-life is expected to be 6-12 hours.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This compound (MW 368.36) is lipophilic (LogP ~4). It is insoluble in water. If absorbed, it would distribute to fatty tissues. For storage, it is a liquid, kept at room temperature.
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| Toxicity/Toxicokinetics |
General toxicity profile: This industrial chemical is a potential irritant and may be toxic to aquatic life. Standard safety precautions (gloves, lab coat, fume hood) should be used. For research use only.
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| Additional Infomation |
4-(1-Methylethyl)phenyl diphenyl phosphate is also known as Diphenyl p-isopropylphenyl phosphate, p-Isopropylphenyl diphenyl phosphate, or p-Cumenyl phenyl phosphate. It is used as a non-halogenated flame retardant in thermoplastics. The product is for research, analytical, and forensic use only.
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| Molecular Formula |
C21H21O4P
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|---|---|
| Molecular Weight |
368.36
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| Exact Mass |
368.118
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| CAS # |
55864-04-5
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| PubChem CID |
91908
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| Appearance |
Typically exists as solids at room temperature
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| Hydrogen Bond Donor Count |
0
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
26
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| Complexity |
423
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
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| InChi Key |
JUHFQCKQQLMGAB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H21O4P/c1-17(2)18-13-15-21(16-14-18)25-26(22,23-19-9-5-3-6-10-19)24-20-11-7-4-8-12-20/h3-17H,1-2H3
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| Chemical Name |
diphenyl (4-propan-2-ylphenyl) 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 | 2.7147 mL | 13.5737 mL | 27.1474 mL | |
| 5 mM | 0.5429 mL | 2.7147 mL | 5.4295 mL | |
| 10 mM | 0.2715 mL | 1.3574 mL | 2.7147 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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