4-Methylpentanoic acid-d12
Based on 1 Customer Validation
4-Methylpentanoic acid-d12 (Isocaproic Acid-d12) is the deuterium labeled 4-Methylpentanoic acid. 4-Methylpentanoic 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.
For research use only. We do not sell to patients.
- Purity: 99.25%
- CAS No.: 116287-57-1
- Formula: C6D12O2
- Molecular Weight:128.23
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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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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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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
Biological Activity
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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CAS No. 116287-57-1
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Unlabeled Cas 6699-33-8
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Appearance Liquid
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Molecular Weight 128.23
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Formula C6D12O2
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Color Colorless to light yellow
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SMILES
[2H]OC(C([2H])([2H])C([2H])([2H])C(C([2H])([2H])[2H])([2H])C([2H])([2H])[2H])=O
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Synonyms
Isocaproic acid-d12
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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
Solvent & Solubility
DMSO : ≥ 100 mg/mL (779.85 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
* "≥" means soluble, but saturation unknown.
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.
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.
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: ≥ 5 mg/mL (38.99 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 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: ≥ 5 mg/mL (38.99 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.
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 (277 KB)
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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)
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Handling Instructions (2659 KB)
References
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
[2]. Skonieczna-Żydecka K, et al. Faecal Short Chain Fatty Acids Profile is Changed in Polish Depressive Women. Nutrients. 2018 Dec 7;10(12). [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 |
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| DMSO | 1 mM | 7.7985 mL | 38.9924 mL | 77.9849 mL | 194.9622 mL |
| 5 mM | 1.5597 mL | 7.7985 mL | 15.5970 mL | 38.9924 mL | |
| 10 mM | 0.7798 mL | 3.8992 mL | 7.7985 mL | 19.4962 mL | |
| 15 mM | 0.5199 mL | 2.5995 mL | 5.1990 mL | 12.9975 mL | |
| 20 mM | 0.3899 mL | 1.9496 mL | 3.8992 mL | 9.7481 mL | |
| 25 mM | 0.3119 mL | 1.5597 mL | 3.1194 mL | 7.7985 mL | |
| 30 mM | 0.2599 mL | 1.2997 mL | 2.5995 mL | 6.4987 mL | |
| 40 mM | 0.1950 mL | 0.9748 mL | 1.9496 mL | 4.8741 mL | |
| 50 mM | 0.1560 mL | 0.7798 mL | 1.5597 mL | 3.8992 mL | |
| 60 mM | 0.1300 mL | 0.6499 mL | 1.2997 mL | 3.2494 mL | |
| 80 mM | 0.0975 mL | 0.4874 mL | 0.9748 mL | 2.4370 mL | |
| 100 mM | 0.0780 mL | 0.3899 mL | 0.7798 mL | 1.9496 mL |
4-Methylpentanoic acid-d12 Related Classifications
HY-W015882S Related Classifications
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