3-Methyl-2-oxobutanoic acid

Name: 3-Methyl-2-oxobutanoic acid
Brand: MedChemExpress
SKU: HY-W006057
Rating: 4.5 (1 reviews)

Cat. No.: HY-W006057 Purity: 98.20%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.

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

3-Methyl-2-oxobutanoic acid Chemical Structure

CAS No. : 759-05-7

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid or liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 44	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 44	In-stock	Estimated Time of Arrival: December 31
Solid or liquid
50 mg	USD 40	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 70	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

or Bulk Inquiry

* 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 3-Methyl-2-oxobutanoic acid:

Sodium 3-methyl-2-oxobutanoate Get quote
3-Methyl-2-oxobutanoic acid (Standard) Get quote

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

Biological Activity
Purity & Documentation
References
Customer Review

Description

3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.

IC₅₀ & Target

Microbial Metabolite

Human Endogenous Metabolite

In Vitro

3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) is a precursor of pantothenic acid in Escherichia coli^[1]. 3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) enhances alpha-ketoisocaproic acid and alpha-keto-beta-methyl-n-valeric acid, but diminishes the corresponding amino acids, and causes an early decline of ornithine along with a late augmentation of plasma arginine^[2].

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

In Vivo

3-Methyl-2-oxobutanoic acid (alpha-Ketoisovaleric acid) induces convulsions through GABAergic and glutamatergic mechanisms in rats^[3].

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

Molecular Weight

116.12

Formula

C₅H₈O₃

CAS No.

759-05-7

Appearance

<31.5°C Solid,>31.5°C Liquid

Color

Colorless to off-white

SMILES

CC(C)C(C(O)=O)=O

Structure Classification

Ketones, Aldehydes, Acids

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)

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
10 mM	0.8612 mL	4.3059 mL	8.6118 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.

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: ≥ 2.17 mg/mL (18.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.17 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (21.7 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: ≥ 2.17 mg/mL (18.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.17 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (21.7 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: ≥ 2.17 mg/mL (18.69 mM); Clear solution

This protocol yields a clear solution of ≥ 2.17 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 (21.7 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).

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: 99.10%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (246 KB) HNMR (178 KB) LCMS (111 KB)

Handling Instructions (2659 KB)

References

[1]. MAAS WK, et al. alpha-Ketoisovaleric acid, a precursor of pantothenic acid in Escherichia coli. J Bacteriol. 1953 Apr;65(4):388-93. [Content Brief]

[2]. Schauder P, et al. Oral administration of alpha-ketoisovaleric acid or valine in humans: blood kinetics and biochemical effects. J Lab Clin Med. 1984 Apr;103(4):597-605. [Content Brief]

[3]. Coitinho AS, et al. Pharmacological evidence that alpha-ketoisovaleric acid induces convulsions through GABAergic and glutamatergic mechanisms in rats. Brain Res. 2001 Mar 9;894(1):68-73. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	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