| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
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| Other Sizes |
| Targets |
(4-Boc-aminophenyl)boronic acid does not have a specific biological target. It is a chemical reagent and building block used in organic synthesis and drug discovery. The boronic acid moiety can reversibly bind to diols and is used in the synthesis of boron-containing drugs such as proteasome inhibitors (e.g., bortezomib). The compound itself is not pharmacologically active but serves as a precursor for synthesizing bioactive molecules.
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|---|---|
| ln Vitro |
(4-Boc-aminophenyl)boronic acid is a chemical reagent and does not possess intrinsic in vitro biological activity. Its value lies in its utility for synthesizing biologically active molecules, particularly boron-containing drugs and other pharmaceutical intermediates. The compound is used in Suzuki-Miyaura cross-coupling reactions to construct biaryl structures found in many drug molecules. It is also used in the synthesis of 1,4-diketone products in water.
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| ln Vivo |
This compound is not a pharmacologically active agent and does not have intrinsic in vivo activity. Its applications in vivo are limited to its use as a synthetic intermediate for producing drug candidates that are subsequently evaluated in animal models. The compound is not administered to animals as a test compound.
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| Enzyme Assay |
(4-Boc-aminophenyl)boronic acid is not typically used in cell-free enzyme/receptor binding assays. Its role in drug discovery is as a synthetic building block. For compounds synthesized using this reagent, typical binding assays may be performed. These involve incubating the test compound with purified enzymes or receptors in buffered solutions (e.g., PBS or Tris-HCl, pH 7.4) at 25–37°C, with binding affinity measured by SPR, ITC, or fluorescence-based methods.
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| Cell Assay |
Cell-based assays are not directly performed on (4-Boc-aminophenyl)boronic acid due to its lack of biological activity. However, drug candidates synthesized from this intermediate may be tested in cellular systems. Typical studies involve culturing cells (e.g., cancer cell lines) in appropriate media, treating with the synthesized compound, and assessing cell viability (MTT), apoptosis, and other endpoints over 24–72 hours. The compound's boronic acid moiety may be used to synthesize proteasome inhibitors for cellular testing.
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| Animal Protocol |
In vivo animal studies are not conducted with (4-Boc-aminophenyl)boronic acid itself, as it is a chemical reagent. Drug candidates synthesized from this intermediate may be evaluated in animal models for efficacy, pharmacokinetics, and toxicity. Typical studies involve oral or intravenous administration to rodents, with monitoring of plasma drug levels, tissue distribution, and disease-relevant endpoints. All studies follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
(4-Boc-aminophenyl)boronic acid is a synthetic chemical reagent and is not subject to pharmacokinetic evaluation as a drug. Its physicochemical properties include a molecular weight of 237.06 g/mol and a molecular formula of C11H16BNO4. The compound is stable under normal storage conditions and is available in high purity (≥98%). The Boc protecting group provides stability and allows selective deprotection under acidic conditions.
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| Toxicity/Toxicokinetics |
The toxicological profile of (4-Boc-aminophenyl)boronic acid has not been extensively characterized. As a boronic acid derivative, it may pose health hazards, including skin and eye irritation. Standard laboratory safety precautions should be observed, including the use of personal protective equipment (gloves, goggles, lab coat) and adequate ventilation. Ingestion or inhalation should be avoided. Appropriate first-aid measures should be in place.
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| Additional Infomation |
(4-Boc-aminophenyl)boronic acid is not a drug but a valuable chemical reagent and building block for organic synthesis and drug discovery. It is an arylboronic acid derivative that can be used in Suzuki-Miyaura cross-coupling reactions to construct complex biaryl structures. The Boc-protected amino group enables selective deprotection for further functionalization. It is used as a biochemical reagent for life science research and as a sulfonylation reagent. It is not approved for clinical use.
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| Molecular Formula |
C11H16BNO4
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|---|---|
| Molecular Weight |
237.06
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| Exact Mass |
237.117
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| CAS # |
380430-49-9
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| PubChem CID |
3613184
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Melting Point |
199-204 °C (dec.)(lit.)
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| Index of Refraction |
1.531
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| LogP |
2.37
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
257
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C)OC(=O)NC1=CC=C(C=C1)B(O)O
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| InChi Key |
UBVOLHQIEQVXGM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-8(5-7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14)
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| Chemical Name |
[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]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) |
DMSO: 100 mg/mL (421.83 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.55 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.2183 mL | 21.0917 mL | 42.1834 mL | |
| 5 mM | 0.8437 mL | 4.2183 mL | 8.4367 mL | |
| 10 mM | 0.4218 mL | 2.1092 mL | 4.2183 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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