| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Benzyloxyphenylboronic acid does not have a defined pharmacological target as it is a synthetic reagent and building block. The compound is a reagent used in the preparation of different kinase inhibitors. It enables convergent neoflavonoid synthesis via Suzuki coupling and the benzyl ether protects the phenol functionality.
|
|---|---|
| ln Vitro |
No direct in vitro pharmacological activity data are available for 2-Benzyloxyphenylboronic acid as it is a synthetic reagent. In research settings, the compound is used as a building block for synthesizing libraries of compounds that are subsequently screened for biological activity. Its activity is assessed in terms of synthetic utility and reactivity.
|
| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 2-Benzyloxyphenylboronic acid as a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives, including kinase inhibitors, may be evaluated in animal models.
|
| Enzyme Assay |
For non-cellular assays, 2-Benzyloxyphenylboronic acid is characterized by standard analytical techniques including NMR, HPLC, and mass spectrometry to confirm identity and purity. The compound can be evaluated in Suzuki-Miyaura cross-coupling reactions as a boronic acid partner. Purity: ≥97%. Melting point: 96-99°C. Molecular weight: 228.05 g/mol.
|
| Cell Assay |
For in vitro cell-based studies, 2-Benzyloxyphenylboronic acid is not typically used as a direct test compound. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken.
|
| Animal Protocol |
For in vivo animal studies, 2-Benzyloxyphenylboronic acid can be formulated using standard injection vehicles. The compound is a solid at room temperature. Dosing solutions should be freshly prepared and administered according to specific protocols with appropriate control groups. Storage: store long-term in a cool, dry place.
|
| ADME/Pharmacokinetics |
2-Benzyloxyphenylboronic acid has a molecular weight of 228.05 and molecular formula C13H13BO3. Purity: ≥97%. Melting point: 96-99°C. Storage: store long-term in a cool, dry place. Solubility: soluble in common organic solvents. The compound is an ortho-substituted arylboronic acid.
|
| Toxicity/Toxicokinetics |
2-Benzyloxyphenylboronic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Boronic acids should be handled with care. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported.
|
| Additional Infomation |
2-Benzyloxyphenylboronic acid (CAS 190661-29-1) is also known as 2-(phenylmethoxy)phenylboronic acid and B-[2-(phenylmethoxy)phenyl]boronic acid. It is a versatile organoboron building block for palladium-catalyzed cross-coupling reactions including Suzuki-Miyaura couplings. Applications include synthesis of kinase inhibitors and neoflavonoids. No clinical trials or therapeutic approvals exist.
|
| Molecular Formula |
C13H13BO3
|
|---|---|
| Molecular Weight |
228.05
|
| Exact Mass |
228.095
|
| CAS # |
190661-29-1
|
| PubChem CID |
2773253
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
428.7±47.0 °C at 760 mmHg
|
| Melting Point |
105-110 °C(lit.)
|
| Flash Point |
213.0±29.3 °C
|
| Vapour Pressure |
0.0±1.1 mmHg at 25°C
|
| Index of Refraction |
1.594
|
| LogP |
3.16
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
17
|
| Complexity |
217
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C1=C([H])C([H])=C([H])C([H])=C1B(O[H])O[H])C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H]
|
| InChi Key |
MCAIDINWZOCYQK-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C13H13BO3/c15-14(16)12-8-4-5-9-13(12)17-10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
|
| Chemical Name |
(2-phenylmethoxyphenyl)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 | 4.3850 mL | 21.9250 mL | 43.8500 mL | |
| 5 mM | 0.8770 mL | 4.3850 mL | 8.7700 mL | |
| 10 mM | 0.4385 mL | 2.1925 mL | 4.3850 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
