| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
|
||
| 100g |
|
||
| Other Sizes |
| Targets |
4-(Diphenylamino)benzeneboronic acid does not have a specific primary biological target, as it functions primarily as a chemical reagent and synthetic intermediate. However, its triphenylamine moiety is known for its electron-donating properties, which may influence its interactions with biological molecules. The boronic acid group allows for reversible covalent bonding with diols and other nucleophilic groups, enabling interactions with sugars, glycoproteins, and other biomolecules. The compound may be used in the synthesis of biologically active molecules that target various pathways, but the parent compound itself is not a direct pharmacological agent.
|
|---|---|
| ln Vitro |
In vitro, 4-(diphenylamino)benzeneboronic acid is used as a sulfonylation reagent for organic synthesis and drug discovery. It is a biochemical reagent that can be used as a biological material or organic compound for life science related research. The compound is used in the synthesis of organic electronic materials and as a building block for constructing biologically active molecules. Its triphenylamine moiety provides electron-donating properties, while the boronic acid group allows for cross-coupling reactions and bioconjugation applications. In organic synthesis, it serves as a versatile building block for creating complex molecules efficiently.
|
| ln Vivo |
In vivo studies are not performed with 4-(diphenylamino)benzeneboronic acid, as it is a chemical reagent rather than a pharmacological agent. The compound is not intended for administration to living organisms. Its use in the synthesis of biologically active molecules means that its derivatives may be evaluated in animal models, but the parent compound itself is not used in in vivo studies.
|
| Enzyme Assay |
Cell-free assays involving 4-(diphenylamino)benzeneboronic acid are focused on its use as a chemical reagent. Standard Suzuki-Miyaura coupling protocols involve mixing the compound 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 bioconjugation applications, the compound is incubated with diol-containing biomolecules in aqueous buffer to form boronate esters. The compound's fluorescence properties may be used in sensing applications. Its reactivity can be studied using various analytical techniques, including NMR spectroscopy and mass spectrometry.
|
| Cell Assay |
Cellular assays are not commonly performed with 4-(diphenylamino)benzeneboronic acid itself, as it is a chemical intermediate rather than a bioactive compound. However, its derivatives may be evaluated in cell-based systems for various biological activities. The compound itself is not used as a test article in cell-based experiments due to its primary role as a synthetic building block.
|
| Animal Protocol |
Animal studies are not conducted with 4-(diphenylamino)benzeneboronic acid. The compound is a chemical reagent and is not intended for administration to animals. Its derivatives may be evaluated in animal models for therapeutic efficacy, but the parent compound itself is not used in animal studies.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for 4-(diphenylamino)benzeneboronic acid are not available. As a lipophilic molecule with a molecular weight of 289.14 g/mol, it is expected to have limited 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.
|
| Toxicity/Toxicokinetics |
Toxicological data for 4-(diphenylamino)benzeneboronic acid are limited. Standard safety precautions for handling boronic acids and aromatic amines 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.
|
| Additional Infomation |
4-(Diphenylamino)benzeneboronic 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 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 features a triphenylamine core with a boronic acid group, making it useful for the synthesis of organic electronic materials and as a building block for constructing biologically active molecules. The compound is a biochemical reagent that can be used as a biological material or organic compound for life science related research. It should be stored in a cool, dry place.
|
| Molecular Formula |
C18H16BNO2
|
|---|---|
| Molecular Weight |
289.14
|
| Exact Mass |
289.127
|
| CAS # |
201802-67-7
|
| PubChem CID |
12166934
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
484.5±47.0 °C at 760 mmHg
|
| Melting Point |
110-115ºC
|
| Flash Point |
246.8±29.3 °C
|
| Vapour Pressure |
0.0±1.3 mmHg at 25°C
|
| Index of Refraction |
1.665
|
| LogP |
5.11
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
301
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])B(C1C([H])=C([H])C(=C([H])C=1[H])N(C1C([H])=C([H])C([H])=C([H])C=1[H])C1C([H])=C([H])C([H])=C([H])C=1[H])O[H]
|
| InChi Key |
TWWQCBRELPOMER-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C18H16BNO2/c21-19(22)15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21-22H
|
| Chemical Name |
[4-(N-phenylanilino)phenyl]boronic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 3.4585 mL | 17.2927 mL | 34.5853 mL | |
| 5 mM | 0.6917 mL | 3.4585 mL | 6.9171 mL | |
| 10 mM | 0.3459 mL | 1.7293 mL | 3.4585 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
