Art. -Nr.: HY-W015881

Dimebutic acid

(Synonyms: NSC-16045; NSC-741804)

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Dimebutic acid is an orally active short-chain fatty acid. Dimebutic acid stimulates fetal globin production and alters the balance of Bcl family proteins. Dimebutic acid prolongs red blood cell survival. Dimebutic acid exhibits toxicity in rats. Dimebutic acid can be used in the study of β-thalassemia and sickle cell disease.

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Reinheit: 99.85%
CAS. Nr.: 595-37-9
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

Dimebutic acid Chemical Structure

CAS. Nr.: 595-37-9

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

Biologische Aktivität

Beschreibung

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
Hepatocyte	EC₅₀	0.8 μM Compound: 10; HST5040A	Reduction of 2-Methylcitric acid in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of 2-Methylcitric acid in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	0.94 μM Compound: 10; HST5040A	Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	1.1 μM Compound: 10; HST5040A	Reduction of 2-Methylcitric acid in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of 2-Methylcitric acid in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	1.4 μM Compound: 10; HST5040A	Reduction of propionyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	11.6 μM Compound: 10; HST5040A	Reduction of CoASH in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of CoASH in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	130 μM Compound: 10; HST5040A	Drug metabolism in mouse hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in mouse hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	14.1 μM Compound: 10; HST5040A	Reduction of CoASH in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of CoASH in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2 μM Compound: 10; HST5040A	Reduction of methylmalonyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of methylmalonyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.1 μM Compound: 10; HST5040A	Reduction of propionyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl-CoA in human hepatocytes derived from methylmalonic acidemia pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.3 μM Compound: 10; HST5040A	Reduction of acetyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl-CoA in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	2.6 μM Compound: 10; HST5040A	Reduction of propionyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of propionyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	202 μM Compound: 10; HST5040A	Drug metabolism in rat hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in rat hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	3 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes derived from propionic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control Drug metabolism in human hepatocytes derived from propionic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control	[PMID: 33848153]
Hepatocyte	EC₅₀	3.5 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes derived from methylmalonic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to contro Drug metabolism in human hepatocytes derived from methylmalonic acidemia patient assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to contro	[PMID: 33848153]
Hepatocyte	EC₅₀	4.3 μM Compound: 10; HST5040A	Reduction of acetyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl carnitine in human hepatocytes derived from methylmalonic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	4.8 μM Compound: 10; HST5040A	Reduction of acetyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis Reduction of acetyl carnitine in human hepatocytes derived from propionic acidemia patient pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	46.2 μM Compound: 10; HST5040A	Drug metabolism in cynomolgus monkey hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in cynomolgus monkey hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	5.9 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	60 μM Compound: 10; HST5040A	Drug metabolism in Beagle dog hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in Beagle dog hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]
Hepatocyte	EC₅₀	8.3 μM Compound: 10; HST5040A	Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control Drug metabolism in human hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA pretreated for 30 mins followed by 13C-isoleucine addition and measured after 1 hr by MS/MS analysis relative to control	[PMID: 33848153]
Hepatocyte	EC₅₀	8.3 μM Compound: 10; HST5040A	Drug metabolism in mini-pig hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis Drug metabolism in mini-pig hepatocytes assessed as formation of 2,2-dimethylbutanoic acid-CoA incubated for 1 hrs by MS/MS analysis	[PMID: 33848153]

In Vivo

Dimebutic acid (200-1000 mg/kg; p.o.; once daily; up to 15 days) causes toxic reactions such as ataxia and weight loss at high doses (1000 mg/kg) in the Sprague-Dawley rat model^[2].

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

Animal Model:

Sprague-Dawley rats (male: 200-260 g, female: 160-220 g)^[2]
Dosage:

200 mg/kg, 600 mg/kg, 1000 mg/kg
Administration:

Oral gavage, once a day, for 15 consecutive days, with a 14-day recovery period after the end of administration
Result:

Did not cause mortality in any dose group.
Showed ataxia for females, had rough coat and thin appearance for males (at 1000 mg/kg).
Showed frequent functional observational battery (FOB) deficits in females, including decreased body tone, rectal temperature, etc.
Decreased RBC, HGB, HCT and increased reticulocytes at high doses.
Increased liver and kidney weights at 1000 mg/kg.

Chemical Information

CAS. Nr. 595-37-9
Appearance Liquid (Density: 0.9449 g/cm³)
Molecular Weight 116.16
Formel C₆H₁₂O₂
Color Colorless to light yellow
SMILES

CCC(C)(C)C(O)=O
Synonyms

NSC-16045; NSC-741804
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

Lösungsmittel & Löslichkeit

In Vitro:

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

* "≥" means soluble, but saturation unknown.

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: ≥ 2.08 mg/mL (17.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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: ≥ 2.08 mg/mL (17.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (20.8 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: ≥ 2.08 mg/mL (17.91 mM); Clear solution

This protocol yields a clear solution of ≥ 2.08 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 (20.8 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 (273 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 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]. Parise RA, et al. Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Feb 1;862(1-2):168-74. [Content Brief]

[2]. Terse PS, et al. Short-term toxicity study of ST-20 (NSC-741804) by oral gavage in Sprague-Dawley rats. Toxicol Pathol. 2011 Jun;39(4):614-22. [Content Brief]

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

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Dimebutic acid

Apoptosis Compound Library

Lipid Compound Library

Anti-Cardiovascular Disease Compound Library

Orally Active Compound Library

Mitochondria-Targeted Compound Library

Rare Diseases Drug Library

Human Metabolite Library

Anti-Hematopathy Compound Library

Mitophagy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Fatty Acids Compound Library

High-Throughput Bioactive Compound Library

Mass Spectrometry Human Metabolite Library

Chinese Baijiu Compound Library

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Dimebutic acid

Apoptosis Compound Library

Lipid Compound Library

Anti-Cardiovascular Disease Compound Library

Orally Active Compound Library

Mitochondria-Targeted Compound Library

Rare Diseases Drug Library

Human Metabolite Library

Anti-Hematopathy Compound Library

Mitophagy Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

Fatty Acids Compound Library

High-Throughput Bioactive Compound Library

Mass Spectrometry Human Metabolite Library

Chinese Baijiu Compound Library

Alle Bcl-2 Family Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

Dimebutic acid Related Classifications

HY-W015881 Related Classifications