4-(2-Bromoacetyl)benzonitrile (Synonyms: 4-Cyanophenacyl bromide)

Cat. No.: HY-79638 Purity: ≥98.0%: FAQs
Data Sheet SDS COA Handling Instructions

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4-(2-Bromoacetyl)benzonitrile (4-Cyanophenacyl bromide) can be used to the synthesis of STA-5312. STA-5312 is a potent and orally active microtubule inhibitor.

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

4-(2-Bromoacetyl)benzonitrile Chemical Structure

CAS No. : 20099-89-2

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Description

4-(2-Bromoacetyl)benzonitrile (4-Cyanophenacyl bromide) can be used to the synthesis of STA-5312. STA-5312 is a potent and orally active microtubule inhibitor^[1]^[2].

Molecular Weight

224.05

Formula

C₉H₆BrNO

CAS No.

20099-89-2

Appearance

Solid

Color

Off-white to yellow

SMILES

N#CC1=CC=C(C(CBr)=O)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 (446.33 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	4.4633 mL	22.3164 mL	44.6329 mL
5 mM	0.8927 mL	4.4633 mL	8.9266 mL
10 mM	0.4463 mL	2.2316 mL	4.4633 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.

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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 (11.16 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.

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 (270 KB) SDS (615 KB)

COA (245 KB) HNMR (115 KB)

Handling Instructions (2659 KB)

References

[1]. Hao Li, et al. Development of a Practical Synthesis of STA-5312, a Novel Indolizine Oxalylamide Microtubule Inhibitor. Org. Process Res. Dev. 2007, 11, 2, 246–250

[2]. Keizo Koya,et al. STA-5312, a novel tubulin inhibitor, demonstrates the anti-cancer activity against chemotherapy-resistant cancers. Cancer Res, Volume 45, 2004.

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.4633 mL	22.3164 mL	44.6329 mL	111.5822 mL
	5 mM	0.8927 mL	4.4633 mL	8.9266 mL	22.3164 mL
	10 mM	0.4463 mL	2.2316 mL	4.4633 mL	11.1582 mL
	15 mM	0.2976 mL	1.4878 mL	2.9755 mL	7.4388 mL
	20 mM	0.2232 mL	1.1158 mL	2.2316 mL	5.5791 mL
	25 mM	0.1785 mL	0.8927 mL	1.7853 mL	4.4633 mL
	30 mM	0.1488 mL	0.7439 mL	1.4878 mL	3.7194 mL
	40 mM	0.1116 mL	0.5579 mL	1.1158 mL	2.7896 mL
	50 mM	0.0893 mL	0.4463 mL	0.8927 mL	2.2316 mL
	60 mM	0.0744 mL	0.3719 mL	0.7439 mL	1.8597 mL
	80 mM	0.0558 mL	0.2790 mL	0.5579 mL	1.3948 mL
	100 mM	0.0446 mL	0.2232 mL	0.4463 mL	1.1158 mL

4-(2-Bromoacetyl)benzonitrile Related Classifications

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Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

4-(2-Bromoacetyl)benzonitrile20099-89-24-CyanophenacylBiochemical Assay ReagentsInhibitorinhibitorinhibit

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