4-Aminophenylboronic acid pinacol ester

Name: 4-Aminophenylboronic acid pinacol ester
Brand: MedChemExpress
SKU: HY-75597
Rating: 4.5 (1 reviews)

Cat. No.: HY-75597 Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

4-Aminophenylboronic acid pinacol ester is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

For research use only. We do not sell to patients.

4-Aminophenylboronic acid pinacol ester Chemical Structure

CAS No. : 214360-73-3

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Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

4-Aminophenylboronic acid pinacol ester is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

In Vitro

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaboran-2yl)aniline is a heterocyclic building block. It has been used in the synthesis of 3-aminoindazole-based multi-targeted receptor tyrosine kinase (RTK) inhibitors with anticancer activity and roscovitine derivatives that are dual inhibitors of cyclin-dependent kinases (CDKs) and casein kinase 1 (CK1).

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

219.09

Formula

C₁₂H₁₈BNO₂

CAS No.

214360-73-3

Appearance

Solid

Color

Brown to gray

SMILES

NC1=CC=C(B2OC(C)(C(C)(O2)C)C)C=C1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (456.43 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	4.5643 mL	22.8217 mL	45.6433 mL
5 mM	0.9129 mL	4.5643 mL	9.1287 mL
10 mM	0.4564 mL	2.2822 mL	4.5643 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (11.41 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (11.41 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (11.41 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: ≥98.0%

Select Batch:

Data Sheet (273 KB) SDS (393 KB)

COA (249 KB) HNMR (109 KB)

Handling Instructions (2659 KB)

References

[1]. Dai, Y., Hartandi, K., Ji, Z., et al al. Discovery of N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-aminoindazole-based ORALLY ACTIVE MULTITARGED Receptor Tyrosine Kinase Inchibitorj. Chem.50 (7) 1584-1597 (2007).

[2]. Paraiso, KHT, HAARBERG, He, Wood, E., ET Al.The HSP9 0 Inhibitor XL888 Overcomes Braf Inchibitor Resistance Mediated Through diverse mechanisms Clin. Cancer Res. 18(9) 2502-2514(2012).

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	4.5643 mL	22.8217 mL	45.6433 mL	114.1084 mL
	5 mM	0.9129 mL	4.5643 mL	9.1287 mL	22.8217 mL
	10 mM	0.4564 mL	2.2822 mL	4.5643 mL	11.4108 mL
	15 mM	0.3043 mL	1.5214 mL	3.0429 mL	7.6072 mL
	20 mM	0.2282 mL	1.1411 mL	2.2822 mL	5.7054 mL
	25 mM	0.1826 mL	0.9129 mL	1.8257 mL	4.5643 mL
	30 mM	0.1521 mL	0.7607 mL	1.5214 mL	3.8036 mL
	40 mM	0.1141 mL	0.5705 mL	1.1411 mL	2.8527 mL
	50 mM	0.0913 mL	0.4564 mL	0.9129 mL	2.2822 mL
	60 mM	0.0761 mL	0.3804 mL	0.7607 mL	1.9018 mL
	80 mM	0.0571 mL	0.2853 mL	0.5705 mL	1.4264 mL
	100 mM	0.0456 mL	0.2282 mL	0.4564 mL	1.1411 mL