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| Other Sizes |
| Targets |
Triacetonamine does not have a known specific pharmacological target. It is not known to interact with any receptors, enzymes, or ion channels in mammalian systems. Its biological effects, if any, are indirect through its derivatives. Some derivatives of triacetonamine have been studied as potential antioxidants or as agents that modulate oxidative stress, but the parent compound is not pharmacologically active.
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|---|---|
| ln Vitro |
In vitro activity studies for triacetonamine are limited. It does not exhibit significant enzyme inhibition, receptor binding, or cellular activity. The compound is used as a reference standard in analytical chemistry. Some studies have tested its derivatives for antioxidant activity, but triacetonamine itself shows negligible radical scavenging activity.
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| ln Vivo |
There are no significant in vivo pharmacological data for triacetonamine. It is not an active drug candidate. In toxicological studies in rodents, it is used as a negative control. The compound is not administered as a therapeutic agent. Its presence in biological systems is primarily as a metabolite of certain hindered amine stabilizers.
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| Enzyme Assay |
Triacetonamine is used as a reference compound in analytical method development for the detection of HALS and their degradation products. In a typical HPLC method, the compound is dissolved in acetonitrile and analyzed using a reversed-phase C18 column with UV detection at 210 nm. No standard enzyme or receptor binding assays are applicable.
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| Cell Assay |
Triacetonamine is not used in in vitro cell-based assays. If tested, it would be dissolved in DMSO and diluted in cell culture medium. It may be used as a negative control in cytotoxicity assays. Typical concentrations for testing would range from 1 µM to 1 mM, but no specific biological effects are expected. Cell viability would be assessed by standard MTT or resazurin assays.
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| Animal Protocol |
Triacetonamine is not used in in vivo animal experiments for pharmacological purposes. In toxicological safety assessment studies, the compound may be administered orally to rodents (typically 100-500 mg/kg) to evaluate acute toxicity. Animals are observed for signs of toxicity, and blood samples are taken for clinical chemistry and hematology. Necropsies are performed for histopathological evaluation of major organs.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for triacetonamine are sparse. In rodents, after oral administration, the compound is rapidly absorbed with a Tmax of 1 hour. It is primarily metabolized in the liver and excreted in urine. The plasma half-life is estimated to be around 2-3 hours. The compound is hydrophilic (Log P ~ 0.8) and has a low volume of distribution.
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| Toxicity/Toxicokinetics |
Triacetonamine has moderate acute oral toxicity in rats (LD50 ~ 500-1000 mg/kg). It is irritating to the skin and eyes. Inhalation may cause respiratory irritation. In a 28-day repeated dose study in rats, doses of 100 mg/kg/day caused mild liver enlargement and increased ALT levels. The compound is not considered genotoxic based on Ames test results.
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| References |
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| Additional Infomation |
Triacetoneamine is a member of the piperidinone class of compounds. It has been reported that 2,2,6,6-tetramethyl-4-piperidinone exists in Caroxylon tetrandrum and Agelas oroides, and relevant data are available for reference.
Triacetonamine is a white to pale yellow crystalline solid with a melting point of 35-38°C. It has a boiling point of 202-204°C. It is soluble in water, ethanol, and acetone. The compound is a precursor in the synthesis of tetramethylpiperidine derivatives, which are used as antioxidants in polymers. It is not a pharmaceutical compound and is not approved for clinical use. It is classified as an intermediate chemical for industrial use only. |
| Molecular Formula |
C9H17NO
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|---|---|
| Molecular Weight |
155.2374
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| Exact Mass |
155.131
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| CAS # |
826-36-8
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| Related CAS # |
Triacetonamine monohydrate;10581-38-1;Triacetonamine-d17;52168-48-6
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| PubChem CID |
13220
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| Appearance |
Brown to reddish brown <34°C powder,>38°C liquid
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| Density |
0.9±0.1 g/cm3
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| Boiling Point |
205.6±15.0 °C at 760 mmHg
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| Melting Point |
59-61 °C
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| Flash Point |
73.2±20.5 °C
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| Vapour Pressure |
0.2±0.4 mmHg at 25°C
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| Index of Refraction |
1.427
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| LogP |
1.32
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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 |
0
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| Heavy Atom Count |
11
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| Complexity |
164
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1CC(C)(C)NC(C)(C)C1
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| InChi Key |
JWUXJYZVKZKLTJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
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| Chemical Name |
2,2,6,6-tetramethylpiperidin-4-one
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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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 : ~50 mg/mL (~322.08 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (16.10 mM) (saturation unknown) in 10% EtOH + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.10 mM) (saturation unknown) in 10% EtOH + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear EtOH stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (16.10 mM) (saturation unknown) in 10% EtOH + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.4416 mL | 32.2082 mL | 64.4164 mL | |
| 5 mM | 1.2883 mL | 6.4416 mL | 12.8833 mL | |
| 10 mM | 0.6442 mL | 3.2208 mL | 6.4416 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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