| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Not applicable; Suberic acid-d4 is a stable isotope-labeled internal standard for analytical quantification, not a pharmacologically active drug targeting specific biological receptors. The unlabeled parent compound suberic acid (octanedioic acid) is a dicarboxylic acid that has been found to be associated with carnitine-acylcarnitine translocase deficiency and malonyl-CoA decarboxylase deficiency, but it is not a therapeutic target. Suberic acid-d4 is used solely as an internal standard in mass spectrometry and as a tracer in metabolic studies. It is not designed to interact with biological receptors but rather to enable precise quantification of metabolites in complex biological matrices.
|
|---|---|
| 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].
Suberic acid-d4 is intended for use as an internal standard and does not directly exert pharmacological effects in vitro. The unlabeled suberic acid (octanedioic acid) is a dicarboxylic acid associated with certain metabolic disorders. In cell-free systems, Suberic acid-d4 is used as a standard to calibrate GC-MS or LC-MS instruments for dicarboxylic acid analysis. It co-elutes with unlabeled suberic acid but is distinguished by its mass shift (M+4), allowing precise quantification by isotope dilution. It is used in metabolomics and lipidomics research for biomarker discovery and metabolic pathway analysis. It is not typically used for testing biological activity in cell-free enzyme assays. |
| ln Vivo |
Suberic acid-d4 is not intended for in vivo use as a therapeutic agent but serves as an internal standard in metabolism studies. It can be administered to animals as a tracer to study the metabolism of dicarboxylic acids. Because it is deuterated (M+4), it can be distinguished from endogenous suberic acid by mass spectrometry, enabling accurate quantification of suberic acid flux in metabolic studies. This is particularly relevant for studying disorders such as carnitine-acylcarnitine translocase deficiency and malonyl-CoA decarboxylase deficiency, where suberic acid and other dicarboxylic acids accumulate. The compound finds particular application in the fields of metabolomics and lipidomics.
|
| Enzyme Assay |
For quantitative LC-MS/MS analysis of suberic acid, prepare a stock solution of Suberic acid-d4 in water or methanol at 1 mg/mL. Spike a known amount (e.g., 10-100 ng/mL) of the deuterated standard into biological samples (plasma, urine, tissue homogenates) after sample preparation. For derivatization, react the carboxylic acids with a derivatizing agent (e.g., 3-nitrophenylhydrazine or butylamine) to improve ionization efficiency. Separate on a C18 reverse-phase column using a mobile phase of 0.1% formic acid in water and acetonitrile. Detect by negative ion electrospray ionization (ESI-) or positive ion ESI after derivatization, using multiple reaction monitoring (MRM). Quantify by isotope dilution using the peak area ratio of suberic acid to Suberic acid-d4 against a calibration curve.
|
| Cell Assay |
For cell-based metabolomics studies, culture cells in appropriate medium. At designated time points, harvest cells, wash with PBS, and extract intracellular metabolites with cold methanol/water (80:20 v/v). Add Suberic acid-d4 as an internal standard at a known concentration (e.g., 50 ng/mL) prior to extraction. Centrifuge to remove debris, dry the supernatant under nitrogen, and derivatize as described above. Analyze by LC-MS/MS using the method described. The deuterated internal standard corrects for any variability in sample preparation, extraction efficiency, matrix effects, and ion suppression, enabling accurate quantification of suberic acid and other dicarboxylic acids in cellular samples. This is essential for metabolic pathway analysis and understanding cellular function.
|
| Animal Protocol |
For in vivo metabolomics studies, administer test compounds to animals (e.g., rats, mice) by oral gavage or injection. Collect blood, urine, and tissues at designated time points. Add Suberic acid-d4 internal standard (e.g., 50-100 ng/mL) to each sample. Precipitate proteins with acetonitrile or perform solid-phase extraction (SPE). Derivatize samples as described above and analyze by LC-MS/MS. Quantify suberic acid and other dicarboxylic acids by isotope dilution using the deuterated standard. This method is used for biomarker discovery, metabolic pathway analysis, and studying the effects of drugs on metabolism, particularly in the context of fatty acid oxidation disorders and metabolic diseases.
|
| ADME/Pharmacokinetics |
Suberic acid-d4: Molecular formula C₈H10D4O4 (or HOOCCD2(CH2)4CD2COOH). Molecular weight: 178.22 g/mol (unlabeled suberic acid 174.19). Appearance: White to off-white solid. Solubility: Soluble in DMSO, methanol, and water. Storage: Store powder at -20degC, sealed, protected from light and moisture. In solution, store at -80degC for up to 6 months; at -20degC for up to 1 month. Purity: ≥98% by HPLC; isotopic enrichment: 98 atom% D. The compound features four deuterium atoms and is a valuable tool in metabolomics and lipidomics as an internal standard.
|
| Toxicity/Toxicokinetics |
Suberic acid-d4 has low toxicity at typical analytical working concentrations (ng/mL to ug/mL). The unlabeled parent compound suberic acid (octanedioic acid) is a naturally occurring dicarboxylic acid found in urine, and it is generally regarded as safe at physiological levels. The deuterated analog shares the same safety profile. Standard laboratory safety precautions should be followed when handling the pure compound: wear appropriate personal protective equipment (lab coat, gloves, safety glasses), avoid inhalation of powder and contact with skin/eyes, wash hands thoroughly after handling. Not for human therapeutic use. Always consult the Safety Data Sheet (SDS) for detailed safety information. For research use only.
|
| References |
|
| Additional Infomation |
Suberic acid-d4 (Octanedioic acid-d4) is a deuterated derivative of octanedioic acid, where four hydrogen atoms are replaced with deuterium, creating a mass difference between the labeled and unlabeled molecules that allows them to be distinguished by mass spectrometry. It is used as an isotope-labeled internal standard for accurate quantification of suberic acid and other dicarboxylic acids in biological samples. Suberic acid (unlabeled) is found to be associated with carnitine-acylcarnitine translocase deficiency and malonyl-CoA decarboxylase deficiency. The compound finds particular application in metabolomics and lipidomics for biomarker discovery, metabolic pathway analysis, drug development, and understanding cellular function. It is also used as a reference standard for analytical method development and validation. For research use only.
|
| Molecular Formula |
C8H10D4O4
|
|---|---|
| Molecular Weight |
178.22
|
| Exact Mass |
178.114
|
| CAS # |
19031-57-3
|
| Related CAS # |
Suberic acid;505-48-6
|
| PubChem CID |
102602162
|
| Appearance |
White to light yellow solid powder
|
| LogP |
1.496
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
12
|
| Complexity |
135
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
[2H]C([2H])(CCCCC([2H])([2H])C(=O)O)C(=O)O
|
| InChi Key |
TYFQFVWCELRYAO-NZLXMSDQSA-N
|
| InChi Code |
InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)/i5D2,6D2
|
| Chemical Name |
2,2,7,7-tetradeuteriooctanedioic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 5.6110 mL | 28.0552 mL | 56.1104 mL | |
| 5 mM | 1.1222 mL | 5.6110 mL | 11.2221 mL | |
| 10 mM | 0.5611 mL | 2.8055 mL | 5.6110 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
