2. Metabolic Enzyme/Protease
  3. Endogenous Metabolite
  4. Methyl acetylacetate

Methyl acetylacetate  (Synonyms: Acetoacetate methyl ester; Methyl 3-oxobutanoate; Methyl acetoacetate)

Cat. No.: HY-Y1298 Purity: 99.86%
COA Handling Instructions

Molarity Calculator

Methyl acetylacetate is a chemical reagent used in the synthesis of pharmaceuticals for the synthesis of α-substituted acetoacetate and cyclic compounds such as pyrazole, pyrimidine, and coumarin derivatives.

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

Methyl acetylacetate Chemical Structure

Methyl acetylacetate Chemical Structure

CAS No. : 105-45-3

Size Price Stock Quantity
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO
ready for reconstitution
 USD 30 In-stock
Solution
10 mM * 1 mL in DMSO USD 30 In-stock
Liquid
250 g USD 25 In-stock
500 g USD 40 Get quote
> 100 g   Get quote  

* Please select Quantity before adding items.

This product is a controlled substance and not for sale in your territory.

Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of Methyl acetylacetate:

Methyl acetylacetate Related Antibodies

Top Publications Citing Use of Products

1 Publications Citing Use of MCE Methyl acetylacetate

  • Biological Activity

  • Purity & Documentation

  • References

  • Customer Review

Description

Methyl acetylacetate is a chemical reagent used in the synthesis of pharmaceuticals for the synthesis of α-substituted acetoacetate and cyclic compounds such as pyrazole, pyrimidine, and coumarin derivatives[1].

IC50 & Target

Human Endogenous Metabolite

 

Molecular Weight

116.12

Formula

C5H8O3
CAS No.
Appearance

Liquid (Density: 1.077 g/cm3)

Color

Colorless to light yellow

SMILES

CC(CC(OC)=O)=O
Structure Classification
Initial Source
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Pure form -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (861.18 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H2O : 100 mg/mL (861.18 mM; Need ultrasonic)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 8.6118 mL 43.0589 mL 86.1178 mL
5 mM 1.7224 mL 8.6118 mL 17.2236 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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

  • Molarity Calculator

  • Dilution Calculator

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

Mass
=
Concentration
×
Volume
×
Molecular Weight *

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

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

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 (21.53 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 (21.53 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.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Calculation results:
Working solution concentration: mg/mL
This product has good water solubility, please refer to the measured solubility data in water/PBS/Saline for details.
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).
Purity & Documentation

Purity: 99.86%

COA (245 KB) HNMR (129 KB) GC (179 KB)

Handling Instructions (2659 KB)
References

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. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO / H2O 1 mM 8.6118 mL 43.0589 mL 86.1178 mL 215.2945 mL
5 mM 1.7224 mL 8.6118 mL 17.2236 mL 43.0589 mL
10 mM 0.8612 mL 4.3059 mL 8.6118 mL 21.5295 mL
15 mM 0.5741 mL 2.8706 mL 5.7412 mL 14.3530 mL
20 mM 0.4306 mL 2.1529 mL 4.3059 mL 10.7647 mL
25 mM 0.3445 mL 1.7224 mL 3.4447 mL 8.6118 mL
30 mM 0.2871 mL 1.4353 mL 2.8706 mL 7.1765 mL
40 mM 0.2153 mL 1.0765 mL 2.1529 mL 5.3824 mL
50 mM 0.1722 mL 0.8612 mL 1.7224 mL 4.3059 mL
60 mM 0.1435 mL 0.7176 mL 1.4353 mL 3.5882 mL
80 mM 0.1076 mL 0.5382 mL 1.0765 mL 2.6912 mL
100 mM 0.0861 mL 0.4306 mL 0.8612 mL 2.1529 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

  • No file chosen (Maximum size is: 1024 Kb)
  • If you have published this work, please enter the PubMed ID.
  • Your name will appear on the site.

Methyl acetylacetate Related Classifications

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:

Methyl acetylacetate105-45-3Acetoacetate methyl ester Methyl 3-oxobutanoate Methyl acetoacetateEndogenous MetaboliteInhibitorinhibitorinhibit

Your Recently Viewed Products:

Inquiry Online

Your information is safe with us. * Required Fields.

Product Name

  

Salutation

Applicant Name *

 

Email Address *

Phone Number *

 

Organization Name *

Department *

 

Requested quantity *

Country or Region *

      

Remarks

Bulk Inquiry

Inquiry Information

Product Name:
Methyl acetylacetate
Cat. No.:
HY-Y1298
Quantity:
MCE Japan Authorized Agent:

Customer Review

Thank You for Your Feedback!

Request for HNMR Report

Please fill out this form to request the QC report. We will send it to your Email address shortly.

Your information is safe with us. * Required Fields.

Product Name

  

Lot #

Applicant Name *

 

Email Address *

Phone Number

 

Department *

Organization Name *

 

Country or Region *

Remarks

Request for HNMR Report

We have received your request and will respond to you as soon as possible.