Art. -Nr.: HY-W015882

4-Methylpentanoic acid

(Synonyms: Isocaproic acid)

1 Cited Publications

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4-Methylpentanoic acid (Isocaproic 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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Reinheit: 99.15%
CAS. Nr.: 646-07-1
Formel: C₆H₁₂O₂
Molecular Weight:116.16

Speicherung:

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

4-Methylpentanoic acid Chemical Structure

CAS. Nr.: 646-07-1

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Biologische Aktivität
- Beschreibung
- In Vitro
- In Vivo
Chemical Information
Publications (1)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

In Vitro

4-Methylpentanoic acid (200 μg (carrier added post-incubation); 3 h) produced by incubation of 20α-hydroxycholesterol-22-¹⁴C with bovine adrenal homogenate supernatant, with yields of 17% and 20% in two separate experiments, confirming it as a metabolite in the cholesterol degradation pathway^[2].

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

In Vivo

4-Methylpentanoic acid (500-2000 mg/kg; p.o.; single administration; 10-250 mg/kg/day; p.o.; daily administration; 41-53 days) shows no clastogenic activity in mice and rats^[1].

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

Animal Model:

BDF1 mice (male); Sprague Dawley rats (13/sex/dose)^[1]
Dosage:

500, 1000, 2000 mg/kg (genotoxicity); 10, 50, 250 mg/kg/day (repeated dose/reproductive/developmental toxicity)
Administration:

p.o.; single dose (genotoxicity); p.o.; daily; 41-53 days (female rats); p.o.; daily; 42 days (male rats)
Result:

Showed no statistically significant increase in the incidence of micronucleated polychromatic erythrocytes in bone marrow at any tested dose.

Chemical Information

CAS. Nr. 646-07-1
Appearance Liquid (Density: 0.9392 g/cm³)
Molecular Weight 116.16
Formel C₆H₁₂O₂
Color Colorless to light yellow
SMILES

CC(C)CCC(O)=O
Synonyms

Isocaproic acid
Structure Classification
- Ketones, Aldehydes, Acids
Initial Source
- Endogenous metabolite
- Human Gut Microbiota Metabolites
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Publications (1)

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Journal Impact Factor

Biochem Pharmacol

MNAM enhances Blautia abundance and modulates Th17/Treg balance to alleviate diabetes in T2DM mice. [Abstract]

2024 Dec;230(Pt 2):116593. PMID: 39454734

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (860.88 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

8.6088 mL

43.0441 mL

86.0882 mL

5 mM

1.7218 mL

8.6088 mL

17.2176 mL

10 mM

0.8609 mL

4.3044 mL

8.6088 mL

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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

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 (21.52 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (21.52 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.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (21.52 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (271 KB)
SDS (477 KB)
- English - EN (477 KB)
- Français - FR (477 KB)
- Deutsch - DE (477 KB)
- Norwegian - NO (477 KB)
- Español - ES (477 KB)
- Swedish - SV (477 KB)
- Italian - IT (477 KB)
- Korean - KR (477 KB)
- Portuguese - PT (477 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Api AM, et al. RIFM fragrance ingredient safety assessment, 4-methylpentanoic acid, CAS Registry Number 646-07-1. Food Chem Toxicol. 2020;144 Suppl 1:111456. [Content Brief]

[2]. Shimizu K, et al. Isocaproic acid, a metabolite of 20α-hydroxycholesterol. Journal of Biological Chemistry. 1960 Jun 1;235(6):PC25.

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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	1 mM	8.6088 mL	43.0441 mL	86.0882 mL	215.2204 mL
	5 mM	1.7218 mL	8.6088 mL	17.2176 mL	43.0441 mL
	10 mM	0.8609 mL	4.3044 mL	8.6088 mL	21.5220 mL
	15 mM	0.5739 mL	2.8696 mL	5.7392 mL	14.3480 mL
	20 mM	0.4304 mL	2.1522 mL	4.3044 mL	10.7610 mL
	25 mM	0.3444 mL	1.7218 mL	3.4435 mL	8.6088 mL
	30 mM	0.2870 mL	1.4348 mL	2.8696 mL	7.1740 mL
	40 mM	0.2152 mL	1.0761 mL	2.1522 mL	5.3805 mL
	50 mM	0.1722 mL	0.8609 mL	1.7218 mL	4.3044 mL
	60 mM	0.1435 mL	0.7174 mL	1.4348 mL	3.5870 mL
	80 mM	0.1076 mL	0.5381 mL	1.0761 mL	2.6903 mL
	100 mM	0.0861 mL	0.4304 mL	0.8609 mL	2.1522 mL

Keywords

4-Methylpentanoic acid

1 Cited Publications

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4-Methylpentanoic acid

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Publications Citing Use of MedChemExpress (MCE) 4-Methylpentanoic acid

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

4-Methylpentanoic acid

Metabolism/Protease Compound Library

Natural Product Library

Lipid Compound Library

Gut Microbial Metabolite Library

Microbial Metabolite Library

Food-Sourced Compound Library

Drug Metabolite Library

Human Metabolite Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Natural Product Library Plus

Natural Product and Natural Product-Like Compound Library

Bioactive Compound Library

Fatty Acids Compound Library

RO5 Drug-like Natural Product Library

Flavor Compound Library

High-Throughput Bioactive Compound Library

High-Throughput Natural Product Library

Mass Spectrometry Human Metabolite Library

Chinese Baijiu Compound Library

Flavors and Fragrances Compound Library

Natural Product Diversity Scaffold Library

Mass Spectrometry Natural Product Library

Drug Fragment Library

Publications Citing Use of MedChemExpress (MCE) 4-Methylpentanoic acid

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

4-Methylpentanoic acid Related Classifications

HY-W015882 Related Classifications