| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Lignoceric acid-d4-1 targets lipid metabolism pathways as a stable isotope-labeled internal standard. It is used in mass spectrometry and NMR spectroscopy to facilitate the study of long-chain fatty acid metabolism and interactions. The labeled compound is particularly useful in pharmaceutical research and nutritional studies.
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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].
In vitro, lignoceric acid-d4-1 is used as an internal standard for the quantification of lignoceric acid by mass spectrometry and NMR. Stable heavy isotopes are incorporated into drug molecules largely as tracers for quantitation during drug development. The compound is used in studies of long-chain fatty acid metabolism and interactions. |
| ln Vivo |
In vivo, lignoceric acid-d4-1 is used as a tracer to study long-chain fatty acid metabolism. Lignoceric acid (tetracosanoic acid) is a 24-carbon saturated fatty acid synthesized in the developing brain. The deuterated form is used to track the metabolic fate of lignoceric acid in animal models and to study its role in brain development and disease.
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| Enzyme Assay |
In vitro assays using lignoceric acid-d4-1 as an internal standard involve spiking the compound into biological samples (plasma, tissue extracts) prior to extraction and LC-MS/MS or GC-MS analysis. The deuterated compound is used to correct for matrix effects and ionization efficiency variations. For metabolic studies, the compound is incubated with liver microsomes or cell lysates, and metabolites are analyzed by mass spectrometry.
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| Cell Assay |
For in vitro cell assays, cells are cultured in medium supplemented with lignoceric acid-d4-1 at concentrations of 0.1-10 mM, often complexed with BSA. Fatty acid uptake and metabolism are analyzed by LC-MS/MS. The deuterated compound serves as an internal standard for quantifying lignoceric acid levels in cells. Lipid metabolism and fatty acid oxidation are assessed by measuring labeled and unlabeled fatty acid species.
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| Animal Protocol |
For in vivo animal studies, lignoceric acid-d4-1 is administered to rodents via oral gavage or intravenous injection at doses of 10-100 mg/kg. Blood and tissue samples are collected for pharmacokinetic analysis. Lignoceric acid levels are quantified by LC-MS/MS using the deuterated compound as an internal standard. Tissue distribution and metabolic profiling are performed to understand long-chain fatty acid metabolism.
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| ADME/Pharmacokinetics |
Lignoceric acid-d4-1 (MW 372.66) has a molecular formula of C24H44D4O2. It has a standard purity of 98% with 98 atom% D. The deuterium labeling provides a mass shift of +4 Da for MS detection. The compound is stable under standard storage conditions. As a long-chain saturated fatty acid, it is metabolized through β-oxidation. It is synthesized in the developing brain.
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| Toxicity/Toxicokinetics |
The compound is for research use only. No specific toxicity data are available. Lignoceric acid is a naturally occurring fatty acid. The deuterated form is not expected to exhibit additional toxicity. Standard safety precautions should be followed.
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| References | |
| Additional Infomation |
Lignoceric acid-d4-1 (CAS# 1219794-59-8) is a stable isotope-labeled compound used primarily as an internal standard for the quantification of lignoceric acid by mass spectrometry and NMR. It has not been investigated in clinical trials nor approved as a therapeutic drug. The compound is used in studies of long-chain fatty acid metabolism, brain development, and diseases such as Zellweger syndrome and adrenoleukodystrophy.
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| Molecular Formula |
C24H48O2
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|---|---|
| Molecular Weight |
368.636728286743
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| Exact Mass |
372.39
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| CAS # |
1219794-59-8
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| Related CAS # |
Lignoceric acid;557-59-5
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| PubChem CID |
131869235
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| Appearance |
White to off-white solid powder
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| LogP |
10.7
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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 |
22
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| Heavy Atom Count |
26
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| Complexity |
275
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(CCCCCCC(=O)O)CCCC([H])([H])C([H])([H])CCCCCCCCCCC
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| InChi Key |
QZZGJDVWLFXDLK-IDPVZSQYSA-N
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| InChi Code |
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)/i12D2,13D2
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| Chemical Name |
12,12,13,13-tetradeuteriotetracosanoic 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 |
| 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) |
Ethanol: 3.33 mg/mL (8.94 mM)
DMSO: 2 mg/mL (5.37 mM) |
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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 | 2.7127 mL | 13.5634 mL | 27.1267 mL | |
| 5 mM | 0.5425 mL | 2.7127 mL | 5.4253 mL | |
| 10 mM | 0.2713 mL | 1.3563 mL | 2.7127 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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