| Size | Price | Stock | Qty |
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| Targets |
As an analytical standard, Heptadecanoic acid-d3 is not used for studying biological targets. The non-deuterated parent compound, heptadecanoic acid, is an odd-chain saturated fatty acid that is incorporated into cellular membranes and used as a biomarker for dairy fat intake. It does not have a specific drug target but is involved in fatty acid metabolism, lipid signaling, and energy homeostasis. Heptadecanoic acid has been associated with various health conditions, including coronary heart disease, prediabetes, type 2 diabetes, and multiple sclerosis. Its levels in plasma reflect dietary intake and metabolic status.
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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].
Heptadecanoic acid-d3 is not used for in vitro activity studies. The non-deuterated parent compound, heptadecanoic acid, is used in cell culture models to study fatty acid uptake, metabolism, and incorporation into cellular lipids. It serves as an internal standard for quantifying heptadecanoic acid levels in cells treated with fatty acid mixtures. When added to cell culture media, heptadecanoic acid is taken up by cells, activated to its acyl-CoA derivative, and incorporated into triglycerides, phospholipids, and cholesterol esters via acylation reactions. It is also used in studies of odd-chain fatty acid metabolism and beta-oxidation. |
| ln Vivo |
Heptadecanoic acid-d3 is not intended for in vivo activity studies; it is used exclusively as an internal standard for analytical quantification. The non-deuterated parent compound, heptadecanoic acid, is an endogenous fatty acid found in human plasma and tissues. Its levels are influenced by dairy fat intake and have been used as a biomarker for dairy consumption in epidemiological studies. Heptadecanoic acid can be metabolized via beta-oxidation to produce propionyl-CoA, which enters the TCA cycle. No pharmacological activity is attributed to heptadecanoic acid as a drug.
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| Enzyme Assay |
For non-cellular assays (analytical quantification), Heptadecanoic acid-d3 is prepared as a stock solution in hexane, methanol, or chloroform (1 mg/mL). For GC-MS analysis, fatty acids are derivatized to fatty acid methyl esters (FAMEs) using BF3-methanol (14% w/v) at 60degC for 30 minutes. The FAMEs are extracted with hexane and injected onto a GC column with a flame ionization detector or MS detection in SIM mode (m/z for heptadecanoic acid methyl ester: 270; for d3-labeled: 273). For LC-MS/MS, samples are extracted using liquid-liquid extraction with methyl tert-butyl ether (MTBE). The organic layer is evaporated, reconstituted in mobile phase, and injected onto a C18 column. MRM transitions: heptadecanoic acid 269.4→269.4 (or specific fragment ions) and heptadecanoic acid-d3 272.5→272.5.
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| Cell Assay |
For cell-based assays, Heptadecanoic acid-d3 is not used for activity studies. For the non-deuterated compound, hepatocytes (e.g., HepG2 cells), adipocytes (3T3-L1), or primary human cells are seeded in 6-well plates (1×10⁶ cells/well) in DMEM with 10% FBS. After 24 hours, cells are treated with heptadecanoic acid (1-100 uM) complexed with fatty acid-free BSA (molar ratio 5:1) for 24-48 hours. Fatty acid uptake is measured using fluorescent BODIPY-labeled fatty acids. Intracellular lipid accumulation is assessed by Oil Red O staining or Nile Red fluorescence. For quantification, cells are harvested and lipids are extracted with hexane:isopropanol (3:2, v/v). Heptadecanoic acid-d3 is added as internal standard before extraction, and samples are analyzed by LC-MS/MS.
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| Animal Protocol |
For in vivo animal experiments, Heptadecanoic acid-d3 is not typically administered to animals. For pharmacokinetic studies of odd-chain fatty acids, heptadecanoic acid (non-deuterated) can be administered orally (50-200 mg/kg) or intravenously to rats. Blood samples are collected at multiple time points (0, 1, 2, 4, 6, 8, 12, 24 hours). Heptadecanoic acid-d3 (fixed concentration) is added to plasma samples as internal standard before LC-MS/MS analysis. For tissue distribution studies, organs (liver, adipose tissue, heart, skeletal muscle, brain) are harvested and lipids are extracted. For nutritional studies, animals are fed diets containing milk fat or labeled fatty acids, and plasma heptadecanoic acid levels are quantified using the deuterated standard.
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| ADME/Pharmacokinetics |
Heptadecanoic acid-d3 has a molecular formula of C17H31D3O2 and molecular weight of 273.5. The compound is a white solid powder, soluble in DMF (25 mg/mL), DMSO (10 mg/mL), ethanol (25 mg/mL), and chloroform. It should be stored as a powder at -20degC for long-term stability. The compound has a logP of approximately 8.0, indicating very high lipophilicity. The deuterium labeling at the terminal methyl position provides a mass shift of +3 Da, enabling clear differentiation from non-deuterated heptadecanoic acid. The compound is stable under normal storage conditions for at least 12 months.
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| Toxicity/Toxicokinetics |
Heptadecanoic acid-d3 is a stable isotope-labeled compound with minimal toxicity at analytical concentrations (ng-ug per sample). The non-deuterated parent compound, heptadecanoic acid, is an endogenous saturated fatty acid generally recognized as safe at dietary intake levels. High doses of saturated fatty acids may affect lipid metabolism and cardiovascular health, but these effects are not relevant at the low concentrations used for internal standards. Standard laboratory safety precautions for handling organic compounds should be followed. The compound is non-radioactive and safe for use in research laboratories.
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| References | |
| Additional Infomation |
Heptadecanoic acid (d3) is a long-chain fatty acid and a deuterated fatty acid.
Heptadecanoic acid-d3 is an analytical standard and research tool, not an approved drug. No clinical trials have been conducted with the deuterated version for therapeutic purposes. The non-deuterated parent compound, heptadecanoic acid, is an endogenous fatty acid used as a biomarker for dairy fat intake in nutritional epidemiology studies. It has been investigated as a potential biomarker for milk consumption and as a predictor of cardiovascular and metabolic disease risk. Heptadecanoic acid-d3 is used exclusively as an internal standard for quantitative GC-MS or LC-MS analysis of fatty acids in biological samples, food products, and environmental samples. It is also used in lipidomics studies and metabolic flux analysis. |
| Molecular Formula |
C17H31D3O2
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|---|---|
| Molecular Weight |
273.47
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| Exact Mass |
273.274
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| CAS # |
202528-95-8
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| Related CAS # |
Heptadecanoic acid;506-12-7
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| PubChem CID |
44256491
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| Appearance |
White to off-white solid powder
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
298.5±0.0 °C at 760 mmHg
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| Flash Point |
158.4±12.5 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.455
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| LogP |
7.68
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
15
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| Heavy Atom Count |
19
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| Complexity |
190
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])CCCCCCCCCCCCCCCC(=O)O
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| InChi Key |
KEMQGTRYUADPNZ-FIBGUPNXSA-N
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| InChi Code |
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/i1D3
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| Chemical Name |
17,17,17-trideuterioheptadecanoic acid
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 3.6567 mL | 18.2835 mL | 36.5671 mL | |
| 5 mM | 0.7313 mL | 3.6567 mL | 7.3134 mL | |
| 10 mM | 0.3657 mL | 1.8284 mL | 3.6567 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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