4-Methylpentanoic acid-d₁₂ (Synonyms: Isocaproic acid-d₁₂)

Cat. No.: HY-W015882S Pureza: 99.25%: Ficha de datos
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4-Methylpentanoic acid-d₁₂ (Isocaproic Acid-d₁₂) is the deuterium labeled 4-Methylpentanoic acid. 4-Methylpentanoic acid is a short-chain fatty acid and a metabolite of 20 α-hydroxycholesterol (HY-12316) that can be detected in feces. The concentration of 4-Methylpentanoic acid is closely associated with several diseases, such as depression. 4-Methylpentanoic acid is also applicable to studies on cholesterol metabolism.

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4-Methylpentanoic acid-d₁₂ Estructura química

No. CAS : 116287-57-1

Tamaño	Stock	Cantidad
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	Obtener un presupuesto 2-4 weeks 2-4 weeks 2-4 weeks 2-4 weeks	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	Obtener un presupuesto 2-4 weeks 2-4 weeks 2-4 weeks 2-4 weeks	Estimated Time of Arrival: December 31
Liquid
25 mg	En stock	Estimated Time of Arrival: December 31
50 mg	En stock	Estimated Time of Arrival: December 31
100 mg	En stock	Estimated Time of Arrival: December 31
200 mg	Obtener un presupuesto
500 mg	Obtener un presupuesto

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Other Forms of 4-Methylpentanoic acid-d₁₂:

4-Methylpentanoic acid In-stock

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•Related Proteins:

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Descripciòn

Application

1. This compound can be used as a tracer.
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs^[1].

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

Peso molecular

128.23

Fòrmula

C₆D₁₂O₂

No. CAS

116287-57-1

Unlabeled CAS

6699-33-8

Appearance

Liquid

Color

Colorless to light yellow

SMILES

[2H]OC(C([2H])([2H])C([2H])([2H])C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=O

Envío

Room temperature in continental US; may vary elsewhere.

Almacenamiento

Pure form	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvente y solubilidad

In Vitro:

DMSO : ≥ 100 mg/mL (779.85 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

*"≥" means soluble, but saturation unknown.

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	7.7985 mL	38.9924 mL	77.9849 mL
5 mM	1.5597 mL	7.7985 mL	15.5970 mL
10 mM	0.7798 mL	3.8992 mL	7.7985 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.

Calculadora de molaridad
Calculadora de dilución

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: ≥ 5 mg/mL (38.99 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (38.99 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (38.99 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 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).

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.

Pureza y Documentación

Purity: 99.25%

Select Batch:

Ficha de datos (277 KB) SDS (393 KB)

COA (253 KB) HNMR (210 KB) GC (412 KB)

Instrucciones de manejo (2659 KB)

Referencias

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]

[2]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12). [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	7.7985 mL	38.9924 mL	77.9849 mL	194.9622 mL
	5 mM	1.5597 mL	7.7985 mL	15.5970 mL	38.9924 mL
	10 mM	0.7798 mL	3.8992 mL	7.7985 mL	19.4962 mL
	15 mM	0.5199 mL	2.5995 mL	5.1990 mL	12.9975 mL
	20 mM	0.3899 mL	1.9496 mL	3.8992 mL	9.7481 mL
	25 mM	0.3119 mL	1.5597 mL	3.1194 mL	7.7985 mL
	30 mM	0.2599 mL	1.2997 mL	2.5995 mL	6.4987 mL
	40 mM	0.1950 mL	0.9748 mL	1.9496 mL	4.8741 mL
	50 mM	0.1560 mL	0.7798 mL	1.5597 mL	3.8992 mL
	60 mM	0.1300 mL	0.6499 mL	1.2997 mL	3.2494 mL
	80 mM	0.0975 mL	0.4874 mL	0.9748 mL	2.4370 mL
	100 mM	0.0780 mL	0.3899 mL	0.7798 mL	1.9496 mL

4-Methylpentanoic acid-d₁₂ Related Classifications

Neurological Disease Metabolic Disease

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-Methylpentanoic acid-d₁₂116287-57-1Isocaproic acid-d₁₂Drug MetaboliteIsotope-Labeled CompoundsInhibitorinhibitorinhibit

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4-Methylpentanoic acid-d12 (Synonyms: Isocaproic acid-d12)

Other Forms of 4-Methylpentanoic acid-d12:

4-Methylpentanoic acid-d12 Related Antibodies

Recomendaciones destacadas

•Related Small Molecules:

•Related Proteins:

Actividad biológica

Pureza y Documentación

Referencias

Revisión del cliente

4-Methylpentanoic acid-d12 Related Antibodies

Calculadora de molaridad

Calculadora de dilución

Complete Stock Solution Preparation Table

4-Methylpentanoic acid-d12 Related Classifications