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Ethyl pivaloylacetate

Name: Ethyl pivaloylacetate
Brand: TargetMol
SKU: T78505
Price: 29 USD
Availability: InStock
Rating: 5 (10 reviews)

Catalog No. T78505 Copy Product Info

Purity: 98%

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Ethyl pivaloylacetate is a significant β-ketoester. It is widely employed as a model substrate in biocatalysis to evaluate the catalytic activity and stereoselectivity of ketoreductase (KRED) tool-boxes. Due to the presence of the bulky pivaloyl (tert-butyl) group, it serves as an excellent probe for assessing the substrate pocket size and enantioselectivity of recombinant enzymes. The enzymatic reduction of this compound yields enantiopure β-hydroxyesters, which are essential chiral building blocks for the synthesis of sophisticated pharmaceutical intermediates.

Ethyl pivaloylacetate

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Catalog No. T78505

Cas No. 17094-34-7

Pack Size	Price	USA Stock	Global Stock	Quantity
1 g	$29	-	In Stock
1 mL x 10 mM (in DMSO)	$32	-	In Stock

For In stock only · Estimated delivery: USA Stock (1-2 days) Global Stock (5-7 days)

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For research use only—not for human use. No sales to individuals. Use as intended only.

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Batch Information

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Purity:98%

Appearance:Liquid

Color:Transparent

Resource Download

COA HNMR MS

Product Introduction

Bioactivity

Description

In vitro

Ethyl pivaloylacetate serves as a standard substrate for ketoreductase (KRED) kinetics, with activity quantified by NADPH absorbance decay at 340 nm. It enables screening for sterically tolerant enzyme variants and profiling KRED stereopreferences, offering key data for biotransformation development [1].

Chemical Properties

Molecular Weight	172.22
Formula	C₉H₁₆O₃
Cas No.	17094-34-7
Smiles	O=C(OCC)CC(=O)C(C)(C)C

Storage & Solubility Information

Storage

Powder: -20°C for 3 years | In solvent: -80°C for 1 year

Solubility Information

DMSO: 80 mg/mL (464.52 mM), Sonication is recommended.

Solution Preparation Table

DMSO

	1mg	5mg	10mg	50mg
1 mM	5.8065 mL	29.0326 mL	58.0653 mL	290.3263 mL
5 mM	1.1613 mL	5.8065 mL	11.6131 mL	58.0653 mL
10 mM	0.5807 mL	2.9033 mL	5.8065 mL	29.0326 mL
20 mM	0.2903 mL	1.4516 mL	2.9033 mL	14.5163 mL
50 mM	0.1161 mL	0.5807 mL	1.1613 mL	5.8065 mL
100 mM	0.0581 mL	0.2903 mL	0.5807 mL	2.9033 mL

Note : The dilution table applies only to solid products. For liquid products, please calculate the stock solution based on the stated concentration and/or density.

Citations

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In Vivo Formulation Calculator (Clear solution)

Please enter your animal experiment information in the following box and click Calculate to obtain the stock solution preparation method and in vivo formula preparation method:

For example, if the intended dosage is 10 mg/kg for animals weighing 20 g , with a dosing volume of 100 μL per animal, TargetMol | Animal experiments

and a total of 10 animals are to be administered, using a formulation of TargetMol | reagent

10% DMSO+ 40% PEG300+ 5% Tween 80+ 45% Saline/PBS/ddH₂O , the resulting working solution concentration would be 2 mg/mL.

Stock Solution Preparation:

Dissolve 2 mg of the compound in 100 μL DMSO TargetMol | reagent to obtain a stock solution at a concentration of 20 mg/mL . If the required concentration exceeds the compound's known solubility, please contact us for technical support before proceeding.

Preparation of the In Vivo Formulation:

1) Add 100 μL of the DMSO TargetMol | reagent stock solution to 400 μL PEG300 and mix thoroughly until the solution becomes clear.

2) Add 50 μL Tween 80 and mix well until fully clarified.

3) Add 450 μL Saline,PBS or ddH₂O TargetMol | reagent and mix thoroughly until a homogeneous solution is obtained.

This example is provided solely to demonstrate the use of the In Vivo Formulation Calculator and does not constitute a recommended formulation for any specific compound. Please select an appropriate dissolution and formulation strategy based on your experimental model and route of administration.

All co-solvents required for this protocol, includingDMSO, PEG300/PEG400, Tween 80, SBE-β-CD, and Corn oil, are available for purchase on the TargetMol website.

Dose Conversion

You can also refer to dose conversion for different animals. More Dose Conversion

Tech Support

Please see Inhibitor Handling Instructions for more frequently ask questions. Topics include: how to prepare stock solutions, how to store products, and cautions on cell-based assays & animal experiments, etc