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| Targets |
2,5-Dimethylphenylboronic acid may influence cell function by interacting with cell signaling pathways. It has been shown to inhibit serine proteases and kinases by forming stable complexes with their active sites. As a boronic acid, it can form reversible covalent bonds with diols, making it useful in targeting specific biological pathways.
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| ln Vitro |
In vitro studies have investigated the biological activity of 2,5-Dimethylphenylboronic acid, summarizing key research findings and mechanisms of action. The compound may inhibit enzymes involved in glycolysis or other metabolic pathways, leading to changes in cellular energy production and overall metabolism.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 2,5-Dimethylphenylboronic acid as a therapeutic agent. The compound is used as a biochemical reagent and has been explored for its potential in drug delivery systems. Its applications are primarily in research settings.
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| Enzyme Assay |
For non-cellular assays, 2,5-Dimethylphenylboronic acid can be evaluated as a substrate in organic reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. The compound's ability to form reversible covalent bonds with diols can be assessed using standard biochemical assays.
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| Cell Assay |
For in vitro cell-based studies, 2,5-Dimethylphenylboronic acid can be dissolved in DMSO and diluted in cell culture medium to appropriate concentrations. Cells are cultured under standard conditions and treated with the compound to assess effects on cell signaling pathways, gene expression, and cellular metabolism. Appropriate controls should be included in the experimental design.
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| Animal Protocol |
For in vivo animal studies, 2,5-Dimethylphenylboronic acid can be formulated using vehicles such as DMSO:PEG300:Tween 80:Saline (10:40:5:45) or DMSO:Tween 80:Saline (10:5:85) for intravenous, intraperitoneal, intramuscular, or subcutaneous administration. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups.
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| ADME/Pharmacokinetics |
2,5-Dimethylphenylboronic acid has a molecular weight of 149.98 and molecular formula C8H11BO2. Storage: powder at -20°C for up to 3 years or at 4°C for up to 2 years; in solvent at -80°C for up to 1 year. The compound is soluble in DMSO and other organic solvents. Shipping: blue ice or ambient temperature.
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| Toxicity/Toxicokinetics |
2,5-Dimethylphenylboronic acid is for research use only and not for human therapeutic use. Standard laboratory safety practices should be followed when handling this chemical. Specific LD50 values and detailed toxicological profiles have not been extensively reported. Appropriate personal protective equipment including gloves and safety glasses should be worn.
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| Additional Infomation |
2,5-Dimethylphenylboronic acid (CAS 85199-06-0) is also known as DMPBA. It is a biochemical reagent used as a biomaterial for life science research and as a sulfonylation reagent for organic synthesis and drug discovery. The compound serves as a key intermediate in the synthesis of various organic molecules, particularly in the development of pharmaceuticals and agrochemicals.
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| Molecular Formula |
C8H11BO2
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|---|---|
| Molecular Weight |
149.98
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| Exact Mass |
150.085
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| CAS # |
85199-06-0
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| PubChem CID |
2734347
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
305.1±52.0 °C at 760 mmHg
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| Melting Point |
186-191 °C(lit.)
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| Flash Point |
138.3±30.7 °C
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| Vapour Pressure |
0.0±0.7 mmHg at 25°C
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| Index of Refraction |
1.523
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| LogP |
2.51
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
127
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| Defined Atom Stereocenter Count |
0
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| SMILES |
B(C1=C(C=CC(=C1)C)C)(O)O
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| InChi Key |
OOMZKLJLVGQZGV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3
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| Chemical Name |
(2,5-dimethylphenyl)boronic acid
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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 | 6.6676 mL | 33.3378 mL | 66.6756 mL | |
| 5 mM | 1.3335 mL | 6.6676 mL | 13.3351 mL | |
| 10 mM | 0.6668 mL | 3.3338 mL | 6.6676 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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