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| Other Sizes |
| Targets |
4-Carboxyphenylboronic acid pinacol ester is used to improve transition metal-mediated carbon-carbon and carbon-heteroatom cross-coupling reactions. It serves as a labeling feature with a focus on the preparation of radiolabeled compounds for molecular imaging. As a boronic acid derivative, it can form reversible covalent bonds with diols and other nucleophiles, making it useful for bioconjugation and sensor applications. Its primary application is as a chemical reagent rather than a pharmacologically active agent.
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| ln Vitro |
In vitro, 4-Carboxyphenylboronic acid pinacol ester functions as a biochemical reagent and organic synthesis intermediate. It is used in cross-coupling reactions to form carbon-carbon and carbon-heteroatom bonds. As a labeling feature, it is used in the preparation of radiolabeled compounds for molecular imaging. However, specific biological activity data such as IC₅₀ values are not applicable as this is a chemical reagent rather than a bioactive compound.
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| ln Vivo |
Specific in vivo activity data for 4-Carboxyphenylboronic acid pinacol ester are not available as it is a chemical reagent and synthesis intermediate, not a pharmacologically active agent. It is not intended for therapeutic or pharmacological in vivo studies. Its applications are limited to chemical synthesis and biomedical research as a reagent.
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| Enzyme Assay |
No specific protocols for enzyme/receptor binding assays are available for 4-Carboxyphenylboronic acid pinacol ester. As a chemical reagent, it is typically used in organic synthesis reactions such as Suzuki-Miyaura cross-coupling reactions. Standard reaction conditions involve palladium catalysts, bases, and appropriate solvents. The compound's boronic acid pinacol ester group allows for transmetalation and coupling with aryl halides.
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| Cell Assay |
No specific cell-based assay protocols are available for 4-Carboxyphenylboronic acid pinacol ester. As a chemical reagent, it is not typically used in cell-based assays. However, as a boronic acid derivative, it could potentially be used in studies of boron-containing compounds or as a building block for bioactive molecule synthesis. Its primary use is in organic synthesis and radiolabeling applications.
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| Animal Protocol |
No specific in vivo animal experiment protocols are available for 4-Carboxyphenylboronic acid pinacol ester. As a chemical reagent and synthesis intermediate, it is not used in animal studies for therapeutic or pharmacological purposes. Its applications are limited to chemical synthesis and biomedical research as a reagent.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-Carboxyphenylboronic acid pinacol ester are not applicable as it is a chemical reagent and synthesis intermediate, not a therapeutic agent. It is not intended for systemic administration. No ADME studies have been reported.
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| Toxicity/Toxicokinetics |
Toxicological data for 4-Carboxyphenylboronic acid pinacol ester are limited. As a high-purity biochemical reagent (≥98%), it is used in small quantities in laboratory settings. Standard laboratory safety precautions should be followed when handling the compound. No significant toxicity has been reported. It is intended for research use only.
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| Additional Infomation |
4-Carboxyphenylboronic acid pinacol ester is a high-purity biochemical reagent and organic synthesis intermediate used in transition metal-mediated cross-coupling reactions. It serves as a labeling feature for the preparation of radiolabeled compounds for molecular imaging. The compound is widely used in life science research and experiments. It is a research chemical and is not approved for any clinical indication.
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| Molecular Formula |
C13H17BO4
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|---|---|
| Molecular Weight |
248.08
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| Exact Mass |
248.121
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| CAS # |
180516-87-4
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| PubChem CID |
2734621
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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 |
379.7±25.0 °C at 760 mmHg
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| Melting Point |
228-231 °C(lit.)
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| Flash Point |
183.4±23.2 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.522
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| LogP |
1.684
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
18
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| Complexity |
316
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
IYDKBQIEOBXLTP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
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| Chemical Name |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic 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 | 4.0310 mL | 20.1548 mL | 40.3096 mL | |
| 5 mM | 0.8062 mL | 4.0310 mL | 8.0619 mL | |
| 10 mM | 0.4031 mL | 2.0155 mL | 4.0310 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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