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| Other Sizes |
| Targets |
4‑Acetylphenylboronic acid does not have a specific biological target as a drug; it is a synthetic building block. Boronic acids are known to reversibly interact with diols and serine residues in enzymes. In medicinal chemistry, boronic acids are used as protease inhibitors (e.g., bortezomib, a boronic acid‑based proteasome inhibitor for multiple myeloma). 4‑Acetylphenylboronic acid can be used to synthesize compounds that target specific enzymes, but the compound itself has no direct biological target. It is a chemical intermediate for the synthesis of more complex molecules with potential biological activity.
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| ln Vitro |
4‑Acetylphenylboronic acid is a chemical intermediate and has no direct biological activity in its parent form. It is used in the synthesis of bioactive molecules via Suzuki‑Miyaura cross‑coupling reactions. As a boronic acid, it can form reversible covalent bonds with diols and other hydroxyl‑containing molecules, which is the basis for its use in the synthesis of glycoprotein sensors and enzyme inhibitors. However, no specific IC50 values or detailed biological activity data are reported for the compound itself. It is not an inhibitor of specific targets in its unmodified form.
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| ln Vivo |
No specific in vivo activity data for 4‑Acetylphenylboronic acid are reported. As a chemical intermediate, it is not intended for in vivo administration. Any in vivo activity would be attributed to the final synthesized compounds derived from it, not to the boronic acid itself. The compound is used in the synthesis of pharmaceuticals and agrochemicals.
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| Enzyme Assay |
4‑Acetylphenylboronic acid is not evaluated in enzyme/receptor binding assays, as it is a chemical intermediate, not a drug. Its properties are characterized by chemical methods: NMR (¹H, ¹3C, ¹¹B), IR spectroscopy, melting point determination (243‑247degC), HPLC (purity typically 95-99%), and neutralization titration to determine boronic acid content. The compound is used as a reagent in Suzuki‑Miyaura cross‑coupling reactions to form carbon‑carbon bonds between aryl halides and boronic acids.
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| Cell Assay |
No cellular experiments are performed on 4‑Acetylphenylboronic acid itself, as it is a chemical reagent. It may be used in cell‑based assays as part of the synthesis of test compounds, but the boronic acid itself is not tested for biological activity. If used as a positive control in certain assays (e.g., boronic acid‑based enzyme inhibition), it would be tested at concentrations of 1-1000 uM. However, no such data are reported.
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| Animal Protocol |
No animal experiments are performed on 4‑Acetylphenylboronic acid, as it is a chemical intermediate and is not administered to animals for efficacy studies. It is used in the synthesis of drug candidates, which are then tested in animal models. The compound itself is not a drug and has no in vivo applications.
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| ADME/Pharmacokinetics |
4‑Acetylphenylboronic acid (C8H9BO3, MW = 163.97, purity 95-99%, CAS 149104-90-5) is a white to yellow to orange crystalline powder. Melting point: 243‑247degC. For storage, the powder should be kept at room temperature in a sealed container, away from moisture and light. It is stable under normal storage conditions. The compound is soluble in organic solvents such as DMSO, methanol, ethanol, and THF. It is also soluble in alkaline water due to the formation of the boronate anion. For organic synthesis, it is used as a reagent without purification. No PK parameters are reported.
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| Toxicity/Toxicokinetics |
No specific toxicity data for 4‑Acetylphenylboronic acid are reported. As a research‑grade chemical, it is not intended for human or veterinary use. Boronic acids in general have low to moderate toxicity. The compound is an irritant to the skin, eyes, and respiratory tract. Standard laboratory safety precautions for handling chemicals should be followed, including the use of gloves, lab coat, and safety goggles. No LD50 or formal toxicology studies are available.
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| References | |
| Additional Infomation |
4‑Acetylphenylboronic acid (4‑APBA, 4′‑boronoacetophenone) is a boronic acid derivative widely used in organic synthesis as a building block for Suzuki‑Miyaura cross‑coupling reactions, which are among the most important methods for forming carbon‑carbon bonds in medicinal chemistry and materials science. Boronic acids are versatile reagents that can also be used in the synthesis of sensors for carbohydrates (due to their ability to bind diols), enzyme inhibitors (e.g., proteasome inhibitors), and boronic acid‑based drugs (e.g., bortezomib). 4‑Acetylphenylboronic acid is for research use only and has no clinical applications.
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| Molecular Formula |
C8H9BO3
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|---|---|
| Molecular Weight |
163.97
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| Exact Mass |
164.064
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| CAS # |
149104-90-5
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| PubChem CID |
3702122
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| Appearance |
Solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
354.2±44.0 °C at 760 mmHg
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| Melting Point |
240-244 °C(lit.)
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| Flash Point |
168.0±28.4 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.536
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| LogP |
1.04
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
12
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| Complexity |
162
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(C([H])([H])[H])C1C([H])=C([H])C(B(O[H])O[H])=C([H])C=1[H]
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| InChi Key |
OBQRODBYVNIZJU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3
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| Chemical Name |
(4-acetylphenyl)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 | 6.0987 mL | 30.4934 mL | 60.9868 mL | |
| 5 mM | 1.2197 mL | 6.0987 mL | 12.1974 mL | |
| 10 mM | 0.6099 mL | 3.0493 mL | 6.0987 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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