3,3-Dimethyl-1-butanol (Synonyms: DMB; Neohexanol)

Cat. No.: HY-W012977 Purity: 99.56%: FAQs
Data Sheet SDS COA Handling Instructions

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3,3-Dimethyl-1-butanol (DMB) is an orally active inhibitor of trimethylamine (TMA) and trimethylamine N-oxide (TMAO). 3,3-Dimethyl-1-butanol inhibits the signaling pathway of p65 NF-κB and TGF-β1/Smad3. 3,3-Dimethyl-1-butanol has potential applications in cardiovascular disease (CVD).

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

3,3-Dimethyl-1-butanol Chemical Structure

CAS No. : 624-95-3

Size	Price	Stock	Quantity
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 33	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 33	In-stock	Estimated Time of Arrival: December 31
Liquid
100 mg	USD 30	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 60	In-stock	Estimated Time of Arrival: December 31
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5 g		Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

In Vitro

3,3-Dimethyl-1-butanol is a cosurfactant of lauryl sulfobetaine/water system^[4].

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

In Vivo

3,3-Dimethyl-1-butanol (1% DMB soluble in water; p.o.; 6 weeks) significantly reduces the cardiac hypertrophy and fibrosis in heart failure (HF) mice^[1].
3,3-Dimethyl-1-butanol (0.2% and 1.0% DMB soluble in water; p.o.; 21 d) increases the serum TMAO level with dose-dependent manner in ICR mice. 3,3-Dimethyl-1-butanol has been proved that the interaction between the gut and the brain has a regulatory effect on social behavior^[2].
3,3-Dimethyl-1-butanol (1.0% DMB soluble in water; p.o.; gestation period and suckling period) prevents the 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) induced hypertension in offspring of pregnant Sprague-Dawley rats^[3].

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

Animal Model:	C57BL6/J male mice (8-10 weeks old) with heart failure^[1].
Dosage:	1% DMB soluble in water.
Administration:	Oral gavage; 6 weeks.
Result:	Reduced the plasma trimethylamine N-oxide (TMAO) levels, the cross-sectional area of LV cardiomyocytes, and the area of LV interstitial fibrosis. Decreased the expression of ANP, BNP, β-MHC, collagen Iα, collagen III and CTGF. Inhibited TNF-α, IL-6, IL-1β, p65, TGF-β and Smad3 expression.

Animal Model:	Male and female ICR mice (8-weeks old)^[2].
Dosage:	0.2% and 1.0% DMB soluble in water.
Administration:	Oral gavage; 21 d.
Result:	Showed insignificantly effect on body weight, water intake, food intake, sexual preference, anxiety, depression and memory formation. Weakened the social dominance of mice.

Animal Model:	Pregnant Sprague-Dawley rats^[3].
Dosage:	1.0% DMB soluble in water.
Administration:	Oral gavage; gestation period and suckling period.
Result:	Increased kidney weight, plasma trimethylamine (TMA) level and acetic acid, reduced diastolic. Had significantly effect on gut microbiota composition.

Clinical Trial

Molecular Weight

102.17

Formula

C₆H₁₄O

CAS No.

624-95-3

Appearance

Liquid (Density: 0.844 g/cm³)

Color

Colorless to light yellow

SMILES

CC(C)(CCO)C

Structure Classification

Others

Initial Source

Endogenous metabolite

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 (978.76 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

H₂O : 9.09 mg/mL (88.97 mM; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	9.7876 mL	48.9380 mL	97.8761 mL
5 mM	1.9575 mL	9.7876 mL	19.5752 mL
10 mM	0.9788 mL	4.8938 mL	9.7876 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.

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

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: ≥ 2.5 mg/mL (24.47 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.
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: ≥ 2.5 mg/mL (24.47 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.
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: ≥ 2.5 mg/mL (24.47 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

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: 99.56%

Select Batch:

Data Sheet (274 KB) SDS (466 KB)

COA (243 KB) HNMR (115 KB) GC (212 KB)

Handling Instructions (2659 KB)

References

[1]. Wang G, et al. 3,3-Dimethyl-1-butanol attenuates cardiac remodeling in pressure-overload-induced heart failure mice. J Nutr Biochem. 2020 Apr;78:108341. [Content Brief]

[2]. Mao J, et al. Repeated 3,3-Dimethyl-1-butanol exposure alters social dominance in adult mice. Neurosci Lett. 2021 Jul 27;758:136006. [Content Brief]

[3]. Hsu CN, et al. Maternal 3,3-Dimethyl-1-Butanol Therapy Protects Adult Male Rat Offspring against Hypertension Programmed by Perinatal TCDD Exposure. Nutrients. 2021 Aug 30;13(9):3041. [Content Brief]

[4]. Valiente M, et al. 1-Butanol and 3, 3-dimethyl-1-butanol as cosurfactants of the laurylsulfobetaine/water system[J]. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2001, 183: 235-246.

Complete Stock Solution Preparation Table

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

H₂O / DMSO	1 mM	9.7876 mL	48.9380 mL	97.8761 mL	244.6902 mL
	5 mM	1.9575 mL	9.7876 mL	19.5752 mL	48.9380 mL
	10 mM	0.9788 mL	4.8938 mL	9.7876 mL	24.4690 mL
	15 mM	0.6525 mL	3.2625 mL	6.5251 mL	16.3127 mL
	20 mM	0.4894 mL	2.4469 mL	4.8938 mL	12.2345 mL
	25 mM	0.3915 mL	1.9575 mL	3.9150 mL	9.7876 mL
	30 mM	0.3263 mL	1.6313 mL	3.2625 mL	8.1563 mL
	40 mM	0.2447 mL	1.2235 mL	2.4469 mL	6.1173 mL
	50 mM	0.1958 mL	0.9788 mL	1.9575 mL	4.8938 mL
	60 mM	0.1631 mL	0.8156 mL	1.6313 mL	4.0782 mL
	80 mM	0.1223 mL	0.6117 mL	1.2235 mL	3.0586 mL
DMSO	100 mM	0.0979 mL	0.4894 mL	0.9788 mL	2.4469 mL

* Note: If you choose water as the stock solution, please dilute it to the working solution, then filter and sterilize it with a 0.22 μm filter before use.

3,3-Dimethyl-1-butanol Related Classifications

Metabolic Disease Inflammation/Immunology Cardiovascular 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:

3,3-Dimethyl-1-butanol624-95-3DMB NeohexanolTGF-beta/SmadNF-κBEndogenous MetaboliteTransforming growth factor betaNuclear factor-κBNuclear factor-kappaBHF miceICR miceSprague-Dawley ratsTCDDInhibitorinhibitorinhibit

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