| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
No specific drug target; serves as a stable isotope-labeled internal standard for lipid metabolism research. Endogenous fatty alcohols are intermediates in lipid metabolism.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
As a stable isotope-labeled compound, 1-Hexadecanol-d4 exhibits identical chemical properties to unlabeled 1-hexadecanol. The non-labeled 1-hexadecanol is a fatty alcohol, a lipophilic substrate used in the production of esters for perfumery, cosmetics (as an emollient and thickening agent), and pharmaceutical formulations. It occurs naturally in various plant and animal lipids. |
| ln Vivo |
The non-labeled 1-hexadecanol is a fatty alcohol with emollient and skin-conditioning properties. It is widely used in cosmetic and personal care products as a non-ionic surfactant, emulsifier, and thickening agent. In pharmaceutical formulations, it serves as an excipient and penetration enhancer in topical and transdermal preparations. It has no known direct therapeutic activity.
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| Enzyme Assay |
Receptor binding assays are not applicable. Standard analytical protocols using 1-Hexadecanol-d4 involve LC-MS/MS or GC-MS quantification of fatty alcohols in biological samples. For GC-MS analysis, samples undergo derivatization (e.g., silylation) to increase volatility. For LC-MS/MS, samples are extracted with organic solvents. The labeled compound is used as an internal standard to correct for matrix effects and extraction efficiency.
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| Cell Assay |
For cell-based studies of lipid metabolism, cultured hepatocytes or adipocytes are treated with 1-Hexadecanol-d4 (1-100 uM) for 2-24 hours. Cellular lipids are extracted and analyzed by LC-MS to trace the metabolic fate of the labeled fatty alcohol, including oxidation to fatty acids, incorporation into triglycerides and phospholipids, or conversion to fatty aldehyde by fatty alcohol dehydrogenase.
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| Animal Protocol |
In vivo animal studies using 1-Hexadecanol-d4 are typically conducted in rodents for pharmacokinetic or lipid metabolism studies. The labeled compound is administered via oral gavage or intravenous injection (10-50 mg/kg). Blood samples are collected at multiple time points (0-24 hours), and tissues (liver, adipose tissue, skin) are harvested. Fatty alcohol and fatty acid levels are quantified by LC-MS/MS.
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| ADME/Pharmacokinetics |
As an analytical internal standard, pharmacokinetic properties are not directly assessed. The non-labeled 1-hexadecanol is a fatty alcohol that is absorbed from the gastrointestinal tract and metabolized primarily in the liver. It is oxidized to hexadecanoic acid (palmitic acid) by alcohol dehydrogenase and aldehyde dehydrogenase, then enters beta-oxidation or is incorporated into complex lipids.
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| Toxicity/Toxicokinetics |
No toxicity data are specifically reported for the labeled compound. The non-labeled 1-hexadecanol is generally recognized as safe (GRAS) for use in cosmetics and topical pharmaceutical formulations. When used as directed, it is non-toxic and non-irritating. Oral administration of high doses may cause mild gastrointestinal discomfort. It is not classified as a hazardous substance.
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| References | |
| Additional Infomation |
1-Hexadecanol-d4 is a stable isotope-labeled compound used exclusively for research and bioanalytical applications. It serves as an essential internal standard for the accurate quantification of fatty alcohols in biological and environmental samples using GC-MS or LC-MS. This compound is not a therapeutic agent and has no approved clinical indications. It is also used in lipidomics and metabolomics studies to investigate fatty alcohol metabolism and its role in human health and disease.
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| Molecular Formula |
C16H34O
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|---|---|
| Molecular Weight |
246.465212345123
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| Exact Mass |
246.286
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| CAS # |
1398065-49-0
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| Related CAS # |
1-Hexadecanol;36653-82-4
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| PubChem CID |
121305774
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| Appearance |
White to off-white solid powder
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| LogP |
7.3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
17
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| Complexity |
123
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(O)([2H])([2H])C([2H])([2H])CCCCCCCCCCCCCC
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| InChi Key |
BXWNKGSJHAJOGX-ONNKGWAKSA-N
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| InChi Code |
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i15D2,16D2
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| Chemical Name |
1,1,2,2-tetradeuteriohexadecan-1-ol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0573 mL | 20.2864 mL | 40.5729 mL | |
| 5 mM | 0.8115 mL | 4.0573 mL | 8.1146 mL | |
| 10 mM | 0.4057 mL | 2.0286 mL | 4.0573 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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