| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
2,4-Difluorophenylboronic acid is an intermediate used to synthesize dual FGFR and VEGFR inhibitors. FGFR (fibroblast growth factor receptor) and VEGFR (vascular endothelial growth factor receptor) are receptor tyrosine kinases involved in angiogenesis, cell proliferation, and survival. Inhibition of these receptors is being investigated for the treatment of cancer and other diseases characterized by abnormal angiogenesis. The compound's difluorophenyl ring provides a scaffold for the synthesis of kinase inhibitors that target the ATP-binding site of these receptors. The compound's boronic acid group allows for cross-coupling reactions and bioconjugation applications. Its unique structure allows for enhanced interactions with biological targets.
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| ln Vitro |
In vitro, 2,4-difluorophenylboronic acid is an intermediate used to synthesize dual FGFR and VEGFR inhibitors. It can be used in the research of angiogenesis and cancer. The compound serves as a crucial building block in the synthesis of various pharmaceuticals, particularly in the development of drugs targeting cancer and diabetes. It is also used in the development of sensors for detecting biomolecules. In medicinal chemistry, it serves as a versatile building block for constructing biologically active molecules. Its boronic acid group allows for Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex molecular architectures.
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| ln Vivo |
In vivo activity is mediated through the derivatives of 2,4-difluorophenylboronic acid, such as dual FGFR and VEGFR inhibitors. These inhibitors are evaluated in animal models of cancer and angiogenesis. The compound's role as a building block for pharmaceuticals targeting cancer and diabetes suggests that its derivatives may be evaluated in animal models for therapeutic efficacy. However, specific in vivo studies on the parent compound are not documented.
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| Enzyme Assay |
Cell-free assays for 2,4-difluorophenylboronic acid involve standard Suzuki-Miyaura coupling protocols: the compound is mixed with an aryl halide, a palladium catalyst, a base, and a solvent under inert atmosphere. The reaction progress is monitored by TLC or HPLC. For kinase inhibition studies, the compound's derivatives are incubated with FGFR or VEGFR enzymes and substrates, and kinase activity is measured using radioactive ATP or antibody-based detection. The compound's binding to biological targets can be studied using surface plasmon resonance or isothermal titration calorimetry.
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| Cell Assay |
Cellular assays for 2,4-difluorophenylboronic acid are not performed with the parent compound. Instead, its derivatives, such as FGFR and VEGFR inhibitors, are evaluated in cell-based systems. Cancer cell lines are treated with the derivatives, and cell viability, proliferation, and angiogenesis are assessed. The compound's derivatives may also be evaluated for their effects on FGFR and VEGFR signaling pathways using Western blot analysis. The parent compound itself is not used as a test article in cell-based experiments.
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| Animal Protocol |
Animal studies for 2,4-difluorophenylboronic acid are not conducted with the parent compound. Its derivatives, such as FGFR and VEGFR inhibitors, are evaluated in animal models of cancer and angiogenesis. In these studies, xenograft or orthotopic mouse models are used, and tumor growth, angiogenesis, and survival are assessed. The parent compound itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2,4-difluorophenylboronic acid are not available. As a small polar molecule with a molecular weight of 157.91 g/mol, it is expected to have moderate bioavailability if administered, but it is not intended for therapeutic use. Comprehensive pharmacokinetic studies have not been performed, as the compound is not intended for systemic administration. For research purposes, the compound is typically handled as a neat chemical and not administered to living organisms for pharmacokinetic profiling.
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| Toxicity/Toxicokinetics |
Toxicological data for 2,4-difluorophenylboronic acid are limited. Standard safety precautions for handling boronic acids and fluorinated compounds apply, including the use of personal protective equipment such as gloves and safety goggles. The compound should be handled in a well-ventilated area, and contact with skin and eyes should be avoided. In case of exposure, affected areas should be rinsed thoroughly with water. The compound is not classified as a carcinogen or mutagen based on available data, but comprehensive toxicological evaluation has not been performed. As with all research chemicals, it should be handled with care and used only in accordance with safety guidelines.
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| Additional Infomation |
2,4-Difluorophenylboronic acid is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is an intermediate used to synthesize dual FGFR and VEGFR inhibitors. It can be used in the research of angiogenesis and cancer. It serves as a crucial building block in the synthesis of various pharmaceuticals, particularly in the development of drugs targeting cancer and diabetes. It is also used in the development of sensors for detecting biomolecules. It is a high-purity biochemical reagent suitable for use as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery. It should be stored in a cool, dry place.
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| Molecular Formula |
C6H5BF2O2
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|---|---|
| Molecular Weight |
157.91
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| Exact Mass |
158.035
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| CAS # |
144025-03-6
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| PubChem CID |
2734334
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
251.0±50.0 °C at 760 mmHg
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| Melting Point |
247-250 °C
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| Flash Point |
105.6±30.1 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.486
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| LogP |
1.73
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
11
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| Complexity |
134
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C([H])=C(C([H])=C([H])C=1B(O[H])O[H])F
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| InChi Key |
QQLRSCZSKQTFGY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
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| Chemical Name |
(2,4-difluorophenyl)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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.3327 mL | 31.6636 mL | 63.3272 mL | |
| 5 mM | 1.2665 mL | 6.3327 mL | 12.6654 mL | |
| 10 mM | 0.6333 mL | 3.1664 mL | 6.3327 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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