Art. -Nr.: HY-W020678

2-Methylbutanal

Name: 2-Methylbutanal
Brand: MedChemExpress
SKU: HY-W020678
Price: 25.00 USD
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(Synonyms: 2-Methylbutyraldehyde)

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2-Methylbutanal (2-Methylbutyraldehyde) is a short-chain aliphatic aldehyde and a characteristic volatile biomarker that can be used to detect the urinary tract pathogen Proteus. 2-Methylbutanal is an orally active CaSR activator and ENO1 inhibitor (K_d = 4.92 μM). 2-Methylbutanal activates oral CaSR to enhance the umami and salty taste of food. 2-Methylbutanal downregulates YAP1 by inhibiting the RNA-binding function of ENO1, thereby upregulating HPGD and reducing PGE2 production, ultimately relieving immunosuppression to promote the infiltration and activation of intratumoral CD8⁺ T cells. 2-Methylbutanal can be used in research on bacterial infections, colorectal cancer, and food flavor modulation.

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Reinheit : 98.43%
CAS. Nr.: 96-17-3
Formel: C₅H₁₀O
Molecular Weight:86.13

Speicherung:

4°C, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

2-Methylbutanal Chemical Structure

CAS. Nr.: 96-17-3

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

^[5]

YAP1	hENO1 4.92 μM (Kd)

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In Vitro

Anti-cancerAdaptive ImmunityOthers

Anti-cancer

2-Methylbutanal (2-Methylbutyraldehyde) (300 μM; 48 h) binds to ENO1 protein in HCT116 cells and attenuates the binding of ENO1 to YAP1 mRNA, thereby reducing YAP1 protein expression^[5].
2-Methylbutanal (30-300 μM) significantly downregulates intracellular and conditioned medium PGE2 levels and upregulates HPGD expression in HCT116 cells^[5].

Adaptive Immunity

Anti-cancer

2-Methylbutanal (up to 300 μM; 24-48 h) increases immunogenic cell death signals (such as promoting HMGB1 release and calreticulin exposure) in HCT116 and SW480 without significantly directly affecting tumor cell viability or proliferation^[5].
2-Methylbutanal (30-300 μM; 24-48 h) exerts an antitumor effect in PBMC co-culture systems with HCT116 or SW480 by reducing target tumor cell viability in an immune cell-dependent and concentration-dependent manner^[5].

Others

2-Methylbutanal directly binds recombinant human ENO1 with a K_d of 4.92 μM^[5].
2-Methylbutanal, as one of the C3-C6 aliphatic aldehydes, activates human CaSR in a structure-dependent manner in PEAKrapid cells expressing CaSR^[1].

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

Cell Viability Assay^[5]

Cell Line:

Human peripheral blood mononuclear cells (PBMCs) and luciferase-labelled HCT116 or SW480 cells
Concentration:

30, 300 μM
Incubation Time:

24 h
Result:

Significantly reduced the viability of target tumor cells in a concentration-dependent manner in the presence of immune cells.

In Vivo

Anti-cancerAdaptive Immunity

Anti-cancer

Adaptive Immunity

2-Methylbutanal (2-Methylbutyraldehyde) (50-500 mg/kg; p.o.; once every other day; days 7-21) exhibits antitumor activity in orthotopic or subcutaneous MC38 colorectal cancer cell models in C57BL/6 mice by significantly inhibiting tumor growth, reducing tumor weight, and increasing intratumoral infiltration of CD8⁺ T cells^[5].

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

Animal Model:

C57BL/6 (SM-001; male, 6-8 weeks old)^[5]
Dosage:

50 mg/kg; 250 mg/kg; 500 mg/kg
Administration:

p.o.; every other day; from day 7 after tumor implantation until day 21
Result:

Reduced orthotopic tumor diameter at 50, 250, or 500 mg/kg.
Decreased the proportion of Ki-67⁺ cells and increased infiltration of CD3⁺CD8⁺ T cells across the tested dose range.

Related Protocols :

Research Protocol for Infectious Diseases

Chemical Information

CAS. Nr. 96-17-3
Appearance Liquid (Density: 0.8131 g/cm³)
Molecular Weight 86.13
Formel C₅H₁₀O
Color Colorless to light yellow
SMILES

CCC(C)C=O
Synonyms

2-Methylbutyraldehyde
Structure Classification
- Others
Initial Source

Proteus spp
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

4°C, stored under nitrogen

* In solvent : -80°C, 6 months; -20°C, 1 month (stored under nitrogen)

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (1161.04 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

11.6104 mL

58.0518 mL

116.1036 mL

5 mM

2.3221 mL

11.6104 mL

23.2207 mL

10 mM

1.1610 mL

5.8052 mL

11.6104 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 (stored under nitrogen). 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 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 5 mg/mL (58.05 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.

Protocol 2

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

Solubility: ≥ 5 mg/mL (58.05 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 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 (282 KB)
SDS (604 KB)
- English - EN (604 KB)
- Français - FR (604 KB)
- Deutsch - DE (604 KB)
- Norwegian - NO (604 KB)
- Español - ES (604 KB)
- Swedish - SV (604 KB)
- Italian - IT (604 KB)
- Korean - KR (604 KB)
- Portuguese - PT (604 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]. Kitajima S, et al. Volatile Short-Chain Aliphatic Aldehydes Act as Taste Modulators through the Orally Expressed Calcium-Sensing Receptor CaSR. Molecules (Basel, Switzerland). 2023 Jun 06;28(12):4585.

[2]. Moreira MTG, et al. Aldehyde Accumulation in Aged Alcoholic Beer: Addressing Acetaldehyde Impacts on Upper Aerodigestive Tract Cancer Risks. International journal of molecular sciences. 2022 Nov 16;23(22):14147.

[3]. Aro R, et al. Endogenous Synthesis of Tetrahydroisoquinoline Derivatives from Dietary Factors: Neurotoxicity Assessment on a 3D Neurosphere Culture. Molecules (Basel, Switzerland). 2022 Nov 02;27(21):7443.

[4]. Al-Fatimi M. Volatile constituents, et al. from Yemen. J. Pharm. Res. Int. 2018 Jan 1;23(10).

[5]. Kam S, et al. 2-methylbutanal remodels arachidonic acid metabolism and antitumor immunity through ENO1 in colorectal cancer. Journal of Translational Medicine. 2026 Aug 11.

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

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	11.6104 mL	58.0518 mL	116.1036 mL	290.2589 mL
	5 mM	2.3221 mL	11.6104 mL	23.2207 mL	58.0518 mL
	10 mM	1.1610 mL	5.8052 mL	11.6104 mL	29.0259 mL
	15 mM	0.7740 mL	3.8701 mL	7.7402 mL	19.3506 mL
	20 mM	0.5805 mL	2.9026 mL	5.8052 mL	14.5129 mL
	25 mM	0.4644 mL	2.3221 mL	4.6441 mL	11.6104 mL
	30 mM	0.3870 mL	1.9351 mL	3.8701 mL	9.6753 mL
	40 mM	0.2903 mL	1.4513 mL	2.9026 mL	7.2565 mL
	50 mM	0.2322 mL	1.1610 mL	2.3221 mL	5.8052 mL
	60 mM	0.1935 mL	0.9675 mL	1.9351 mL	4.8376 mL
	80 mM	0.1451 mL	0.7256 mL	1.4513 mL	3.6282 mL
	100 mM	0.1161 mL	0.5805 mL	1.1610 mL	2.9026 mL

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2-Methylbutanal

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