| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Not applicable. Diisobutyl hydrogen phosphate is a flame retardant plasticizer. It does not have a specific biological receptor target in the context of therapeutics. It is used in materials science. In environmental toxicology, it is considered a potential endocrine disruptor (anti-androgenic activity at high doses). It may bind weakly to PPARgamma or androgen receptors, but this is an off-target effect. It is not used for pharmacological modulation.
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| ln Vitro |
In vitro, diisobutyl hydrogen phosphate is used as a reference standard for analytical chemistry (LC-MS, GC-MS). It is used to quantify organophosphate flame retardants (OPFRs) in environmental samples (water, dust, soil). It is also used to test the flame retardancy of plastics (UL-94 standard). It is not used in cell viability or enzymatic assays, though it may show weak cytotoxicity at high concentrations (IC50 > 200 uM in HepG2 cells). It is a skin irritant.
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| ln Vivo |
In vivo, diisobutyl hydrogen phosphate is not a drug. It is an industrial chemical. It is not used for therapeutic efficacy studies. In toxicology, it is studied as an environmental contaminant. In a 28-day oral gavage study in rats, diisobutyl hydrogen phosphate (100 mg/kg) caused mild body weight loss and liver vacuolation. It is not used in animal models of disease.
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| Enzyme Assay |
General protocol for in vitro analytical use: For GC-MS analysis of flame retardants, dissolve the sample (e.g., soil extract) in hexane. Prepare calibration standards of diisobutyl hydrogen phosphate at 0.1-10 ug/mL. Inject 1 uL onto a DB-5 column (30 m). Oven program: 80degC to 300degC. Use EI-MS detection (m/z 125, 153, 211). For LC-MS/MS, use a C18 column with water:acetonitrile (0.1% formic acid) gradient, negative ion mode, m/z 209 → 79. The compound is stored at 2-8degC.
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| Cell Assay |
General protocol for in vitro cell-based experiments: Not applicable for biological activity. For cytotoxicity screening, culture HepG2 cells in DMEM + 10% FBS. Treat with diisobutyl hydrogen phosphate (10-500 uM) for 48 h. Perform MTT assay. The compound has an IC50 > 200 uM. For androgen receptor antagonism, perform a reporter assay (MDA-kb2 cells). At 100 uM, it may cause 20-40% inhibition of DHT-induced activation.
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| Animal Protocol |
General protocol for in vivo animal experiments: Not applicable for efficacy. For a toxicology study, administer diisobutyl hydrogen phosphate (100 mg/kg) in corn oil by oral gavage to male rats daily for 28 days. Monitor body weight and organ weights (liver, kidney). Collect blood for serum chemistry (ALT, AST). Perform histopathology on liver. The compound may cause mild hepatotoxicity at high doses.
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| ADME/Pharmacokinetics |
General pharmacokinetic properties: This is a lipophilic (LogP 1.57) liquid (MW 210.21). It is stable in water for months. It is metabolized by hydrolysis to isobutanol and phosphoric acid. It is for research use only.
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| Toxicity/Toxicokinetics |
General toxicity profile: This compound is an irritant (eye, skin). It is toxic to aquatic life. The oral LD50 in rats is >500 mg/kg. It is not a controlled substance. Standard safety precautions for organophosphates (gloves, lab coat, fume hood) should be used.
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| Additional Infomation |
Diisobutyl hydrogen phosphate is a dialkyl phosphate ester. It is used as a reference standard for testing for organophosphate residues in food and water. For research use only.
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| Molecular Formula |
C8H19O4P
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|---|---|
| Molecular Weight |
210.21
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| Exact Mass |
210.102
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| CAS # |
6303-30-6
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| Related CAS # |
Diisobutyl hydrogen phosphate-d14
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| PubChem CID |
80550
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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 |
6
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| Heavy Atom Count |
13
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| Complexity |
163
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)COP(=O)(O)OCC(C)C
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| InChi Key |
PVQVJLCMPNEFPM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H19O4P/c1-7(2)5-11-13(9,10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)
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| Chemical Name |
bis(2-methylpropyl) 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 | 4.7571 mL | 23.7857 mL | 47.5715 mL | |
| 5 mM | 0.9514 mL | 4.7571 mL | 9.5143 mL | |
| 10 mM | 0.4757 mL | 2.3786 mL | 4.7571 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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