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| Targets |
3-Hydroxysebacic acid does not have a specific pharmacological receptor target. As an endogenous metabolite, it is a product or substrate of metabolic enzymes encoded in the human genome. It is a human urinary metabolite and is functionally related to sebacic acid. Its role is in metabolic pathways rather than as a signaling molecule targeting a specific receptor.
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| ln Vitro |
Endogenous metabolites are those that the Kyoto Encyclopedia of Genes and Genomes has identified as products or substrates of the approximately 1900 metabolic enzymes that are encoded in human genome. Numerous of these metabolites have been shown to have harmful effects, as evidenced by the body of literature [1].
In vitro, 3-Hydroxysebacic acid is used as a research tool to study metabolic disorders, particularly medium-chain acyl-CoA dehydrogenase deficiency (MCADD). It is an endogenous metabolite that has been identified in urine and may be utilized to study metabolic pathways. Numerous endogenous metabolites have been shown to have biological effects, as evidenced by the body of literature. |
| ln Vivo |
In vivo, 3-Hydroxysebacic acid is an endogenous metabolite present in urine. It has been reported in Drosophila melanogaster. As a human urinary metabolite, its levels may be altered in certain metabolic disorders such as MCADD. It is not used as a therapeutic agent. Its primary relevance is in the study of metabolic disorders and as a biomarker for certain inborn errors of metabolism.
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| Enzyme Assay |
For non-cell-based assays, 3-Hydroxysebacic acid is used as an analytical standard for the identification and quantification of metabolites in biological samples. Its identity and purity are confirmed using techniques such as NMR, HPLC, and mass spectrometry. It is typically supplied with a purity of ≥98%. It is not used in receptor binding assays. Its role is to serve as a reference standard in metabolomics and clinical chemistry.
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| Cell Assay |
For in vitro cellular assays, 3-Hydroxysebacic acid is not typically used for cell-based functional assays. It may be used in studies of fatty acid metabolism and mitochondrial β-oxidation disorders. Cells may be cultured with the compound to study its effects on metabolic pathways or its use as a substrate. However, its primary use is as an analytical standard and a research tool for metabolic studies.
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| Animal Protocol |
For in vivo animal studies, 3-Hydroxysebacic acid is not typically administered for therapeutic or pharmacological studies. It may be used in metabolic studies where its levels are measured in animal models of metabolic disorders. However, its primary use is as a biomarker and analytical standard rather than as a compound for in vivo administration.
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| ADME/Pharmacokinetics |
3-Hydroxysebacic acid has a molecular weight of 218.25 and a molecular formula of C10H18O5. It is a white to off-white solid powder with a density of 1.2±0.1 g/cm3 and a boiling point of 426.6±40.0 °C. It has a logP of -0.05. The compound should be stored as a powder at -20°C for up to 3 years or at 4°C for up to 2 years. It is soluble in DMSO.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3-Hydroxysebacic acid has not been extensively reported. As an endogenous metabolite, it is not considered toxic at physiological concentrations. The compound is for research use only and is not intended for human consumption. Standard safety precautions should be observed when handling the compound.
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| References | |
| Additional Infomation |
3-Hydroxysepalic acid (HSA) is an α,ω-dicarboxylic acid, consisting of sebacate (sebacate) with a hydroxyl substituent at the 3-position. It is a human urinary metabolite. It is an α,ω-dicarboxylic acid, 3-hydroxycarboxylic acid, and dicarboxylic acid fatty acid. Its function is related to sebacate. It is the conjugate acid of 3-hydroxysepalic acid and 3-hydroxysepalic acid (2-). There are reports of the presence of HSA in fruit flies, along with relevant data.
3-Hydroxysebacic acid (CAS 73141-46-5) is an endogenous metabolite found in human urine. It is an alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3. It is utilized to study medium-chain acyl-CoA dehydrogenase deficiency (MCADD) and has been reported in Drosophila melanogaster. It is available for research purposes only. |
| Molecular Formula |
C10H18O5
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|---|---|
| Molecular Weight |
218.25
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| Exact Mass |
218.115
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| CAS # |
73141-46-5
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| PubChem CID |
3017884
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
426.6±40.0 °C at 760 mmHg
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| Flash Point |
225.9±23.8 °C
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| Vapour Pressure |
0.0±2.3 mmHg at 25°C
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| Index of Refraction |
1.498
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| LogP |
-0.05
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
15
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| Complexity |
202
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(CCCC(=O)O)CCC(CC(=O)O)O
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| InChi Key |
OQYZCCKCJQWHIE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H18O5/c11-8(7-10(14)15)5-3-1-2-4-6-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
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| Chemical Name |
3-hydroxydecanedioic 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) |
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 | 4.5819 mL | 22.9095 mL | 45.8190 mL | |
| 5 mM | 0.9164 mL | 4.5819 mL | 9.1638 mL | |
| 10 mM | 0.4582 mL | 2.2910 mL | 4.5819 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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