3,3-Dimethyl-1-butanol
Based on 1 publication(s) in Google Scholar
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.
- Purity: 99.19%
- CAS No.: 624-95-3
- Formula: C6H14O
- Molecular Weight:102.17
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Storage:Pure form -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
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Publications Citing Use of MedChemExpress (MCE) 3,3-Dimethyl-1-butanol
MoreAll Endogenous Metabolite Isoforms
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Biological Activity
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.
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.
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Animal Model:C57BL6/J male mice (8-10 weeks old) with heart failure[1].
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Dosage:1% DMB soluble in water.
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Administration:Oral gavage; 6 weeks.
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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.
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Animal Model:Male and female ICR mice (8-weeks old)[2].
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Dosage:0.2% and 1.0% DMB soluble in water.
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Administration:Oral gavage; 21 d.
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Result:Showed insignificantly effect on body weight, water intake, food intake, sexual preference, anxiety, depression and memory formation.
Weakened the social dominance of mice.
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Animal Model:Pregnant Sprague-Dawley rats[3].
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Dosage:1.0% DMB soluble in water.
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Administration:Oral gavage; gestation period and suckling period.
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Result:Increased kidney weight, plasma trimethylamine (TMA) level and acetic acid, reduced diastolic.
Had significantly effect on gut microbiota composition.
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 624-95-3
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Appearance Liquid (Density: 0.844 g/cm3)
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Molecular Weight 102.17
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Formula C6H14O
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Color Colorless to light yellow
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SMILES
CC(C)(CCO)C
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Synonyms
DMB; Neohexanol
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Structure Classification
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Initial Source
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
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
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Most Recent
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Gut Microbes
Microbial metabolite trimethylamine-N-oxide facilitates colorectal inflammation-cancer transformation by blocking lysosomal degradation of Wnt signaling. [Abstract]2025 Dec 31;17(1):2597626. PMID: 41376600
Solvent & Solubility
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)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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.
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.
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.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%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
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
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
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Data Sheet (276 KB)
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SDS (466 KB)
- English - EN (466 KB)
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- Italian - IT (466 KB)
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- Portuguese - PT (466 KB)
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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]
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.
| 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
HY-W012977 Related Classifications
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