| Size | Price | Stock | Qty |
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| 50g |
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| 100g |
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| Other Sizes |
| Targets |
3,4-Dichlorophenylboronic acid serves as a precursor in the synthesis of inhibitors for various biological targets, including Mycobacterium tuberculosis H37Rv chorismate mutase, PDE4B, and hTRPV1. Chorismate mutase is an enzyme involved in the shikimate pathway, which is essential for the synthesis of aromatic amino acids in bacteria, fungi, and plants, but not in humans. Inhibition of chorismate mutase is being investigated for the treatment of tuberculosis. PDE4B (phosphodiesterase 4B) is an enzyme involved in the hydrolysis of cAMP, and its inhibitors are being investigated for the treatment of inflammatory diseases and asthma. hTRPV1 (transient receptor potential vanilloid 1) is a cation channel involved in pain sensation, and its inhibitors are being investigated for the treatment of pain. The compound has also been shown to have an affinity for the fatty acid receptor and other receptors. It is an enzyme inhibitor due to its ability to bind magnesium ions.
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| ln Vitro |
In vitro, 3,4-dichlorophenylboronic acid is used in lithiation/borylation-protodeboronation of homoallyl carbamates and Suzuki coupling reactions. It is a precursor or reactant involved in the synthesis of biologically active molecules, including Mycobacterium tuberculosis H37Rv chorismate mutase inhibitors. It serves as a key precursor in the synthesis of inhibitors for PDE4B and hTRPV1. The compound has been shown to have an affinity for the fatty acid receptor and other receptors. 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, 3,4-dichlorophenylboronic acid may be used in dietary supplements or as a food additive. Its derivatives, such as chorismate mutase inhibitors, PDE4B inhibitors, and hTRPV1 inhibitors, are evaluated in animal models for therapeutic efficacy. The compound's affinity for various receptors suggests that it may have biological effects in vivo. However, specific in vivo studies on the parent compound are limited.
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| Enzyme Assay |
Cell-free assays for 3,4-dichlorophenylboronic 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 enzyme inhibition studies, the compound's derivatives are incubated with target enzymes such as chorismate mutase, PDE4B, or hTRPV1, and enzymatic activity is measured using appropriate substrates. The compound's ability to bind magnesium ions can be studied using various analytical techniques.
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| Cell Assay |
Cellular assays for 3,4-dichlorophenylboronic acid are not performed with the parent compound. Instead, its derivatives, such as chorismate mutase inhibitors, PDE4B inhibitors, and hTRPV1 inhibitors, are evaluated in cell-based systems. For chorismate mutase inhibitors, Mycobacterium tuberculosis cultures are treated with the derivatives, and bacterial growth inhibition is measured. For PDE4B inhibitors, immune cells are treated with the derivatives, and cAMP levels and inflammatory cytokine production are measured. For hTRPV1 inhibitors, neuronal cells are treated with the derivatives, and calcium flux is measured. The parent compound itself is not used as a test article in cell-based experiments.
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| Animal Protocol |
Animal studies for 3,4-dichlorophenylboronic acid are not conducted with the parent compound. Its derivatives, such as chorismate mutase inhibitors, PDE4B inhibitors, and hTRPV1 inhibitors, are evaluated in animal models. For chorismate mutase inhibitors, animal models of tuberculosis are used. For PDE4B inhibitors, animal models of inflammation and asthma are used. For hTRPV1 inhibitors, animal models of pain are used. The parent compound itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 3,4-dichlorophenylboronic acid are not available. As a small polar molecule with a molecular weight of 190.82 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 3,4-dichlorophenylboronic acid are limited. The compound is classified as a skin corrosive and may cause skin and eye irritation. Appropriate safety precautions should be taken when handling the compound, 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 |
3,4-Dichlorophenylboronic acid is a research chemical, not an approved drug. It has no clinical trial or marketing approval status for therapeutic use. The compound is a precursor or reactant involved in the synthesis of biologically active molecules, including Mycobacterium tuberculosis H37Rv chorismate mutase inhibitors. It is used in lithiation/borylation-protodeboronation of homoallyl carbamates and Suzuki coupling reactions. It serves as a key precursor in the synthesis of inhibitors for PDE4B and hTRPV1. The compound has been shown to have an affinity for the fatty acid receptor and other receptors. It may be used in dietary supplements or as a food additive. It is an enzyme inhibitor due to its ability to bind magnesium ions. It should be stored in a cool, dry place.
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| Molecular Formula |
C6H5BCL2O2
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|---|---|
| Molecular Weight |
190.82
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| Exact Mass |
189.975
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| CAS # |
151169-75-4
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| PubChem CID |
2734330
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Boiling Point |
339.2±52.0 °C at 760 mmHg
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| Melting Point |
280-285 °C(lit.)
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| Flash Point |
159.0±30.7 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.577
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| LogP |
2.65
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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 |
134
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(C([H])=C([H])C(B(O[H])O[H])=C1[H])Cl
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| InChi Key |
JKIGHOARKAIPJI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
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| Chemical Name |
(3,4-dichlorophenyl)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 | 5.2405 mL | 26.2027 mL | 52.4054 mL | |
| 5 mM | 1.0481 mL | 5.2405 mL | 10.4811 mL | |
| 10 mM | 0.5241 mL | 2.6203 mL | 5.2405 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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