| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
The primary targets and mechanism of action of Acetylleucine are not fully understood. The prevailing hypothesis is that it restores the membrane potential via an interaction with membrane phospholipids on the injured side of vestibular neurons, mainly in the thalamus or parietal region of the cortex. It has also been shown to be transported by organic anion transporters OAT1 and OAT3. In vitro studies have identified additional activities, including inhibiting HP1-beta chromodomain interactions and inducing DNA re-replication in certain cancer cells.
|
|---|---|
| ln Vitro |
In vitro, Acetylleucine has shown a range of bioactivities. It inhibits HP1-beta chromodomain interactions with methylated histone tails with a potency of 39810.7 nM. It induces DNA re-replication in SW480 colon adenocarcinoma cells with a potency of 206.0 nM. It also exhibits antiviral activity, showing 22.48% inhibition of SARS-CoV-2 3CL-Pro protease at a 20 μM concentration. Furthermore, it inhibits SARS-CoV-2 induced cytotoxicity in VERO-6 cells at a 10 μM concentration.
|
| ln Vivo |
In vivo, Acetylleucine is used clinically for the symptomatic treatment of acute vestibular vertigo and dizziness. Animal studies have shown that it accelerates the compensation of postural imbalance in rats after unilateral vestibular neurotomy. Clinical trials on animals showed an improvement in locomotor balance after forced rotation or unilateral vestibular neurotomy. However, it has been noted that there is no evidence of its efficacy on humans, and it did not reduce nausea or hasten vestibular habituation.
|
| Enzyme Assay |
For in vitro receptor binding studies, the affinity of Acetylleucine for its targets can be assessed using techniques like surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). For its antiviral activity, a FRET (Förster resonance energy transfer) assay with a peptide substrate can be used to measure the inhibition of the SARS-CoV-2 3CL-Pro protease. Its effects on HP1-beta chromodomain interactions can be studied using fluorescence polarization or AlphaScreen assays.
|
| Cell Assay |
For in vitro cell-based assays, the activity of Acetylleucine can be evaluated using various cell lines. SW480 colon adenocarcinoma cells can be used to study its effect on DNA re-replication. VERO-6 cells can be used to assess its ability to inhibit SARS-CoV-2 induced cytotoxicity. Cells are treated with the compound, and parameters such as cell viability, DNA content, and viral load are measured. Its effects on neuronal cells can also be studied to understand its mechanism in vertigo.
|
| Animal Protocol |
For in vivo animal studies, Acetylleucine is typically administered orally. Rodent models of vestibular dysfunction, such as unilateral vestibular neurotomy, are used to study its effects on balance and motor coordination. The compound's ability to accelerate postural compensation is assessed using behavioral tests. Its pharmacokinetics and tissue distribution can also be studied in these models.
|
| ADME/Pharmacokinetics |
Acetylleucine is administered orally. The usual clinical dose is 1.5 g to 2 g per day, taken as 3 or 4 tablets twice a day, morning and evening. The duration of treatment is variable, typically between 10 days and 5-6 weeks. It is soluble in ethanol (32 mg/mL) and DMSO (11 mg/mL) but is insoluble in water. For research purposes, it can be formulated in 10% DMSO, 40% PEG300, 5% Tween 80, and 45% saline.
|
| Toxicity/Toxicokinetics |
Acetylleucine is generally well-tolerated at therapeutic doses. However, comprehensive toxicological data are limited. As a medication, it is used for symptomatic treatment of vertigo. The compound is not intended for human use in research settings. Standard laboratory safety precautions should be observed when handling the compound.
|
| Additional Infomation |
N-acetylleucine is a derivative of leucine and also an N-acetyl amino acid. It is used to treat vestibular dysfunction and vertigo.
Acetylleucine is a medication used for the symptomatic treatment of acute vestibular vertigo and dizziness. It has marketing authorisation in some countries, such as France. It is also being investigated for other neurological disorders, including cerebellar ataxia and nystagmus. The compound has received FDA Orphan Drug designations for various indications. It is available as a generic medication. |
| Molecular Formula |
C8H15NO3
|
|---|---|
| Molecular Weight |
173.2096
|
| Exact Mass |
173.105
|
| CAS # |
99-15-0
|
| PubChem CID |
1995
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
369.6±25.0 °C at 760 mmHg
|
| Melting Point |
160ºC
|
| Flash Point |
177.4±23.2 °C
|
| Vapour Pressure |
0.0±1.8 mmHg at 25°C
|
| Index of Refraction |
1.458
|
| LogP |
0.34
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
12
|
| Complexity |
177
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O([H])C(C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])([H])[H])=O)=O
|
| InChi Key |
WXNXCEHXYPACJF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
|
| Chemical Name |
2-acetamido-4-methylpentanoic 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) |
DMSO : ~120 mg/mL (~692.80 mM)
H2O : ~6.67 mg/mL (~38.51 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (17.32 mM) (saturation unknown) in 10% DMSO + 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 30.0 mg/mL clear DMSO 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: ≥ 3 mg/mL (17.32 mM) (saturation unknown) in 10% DMSO + 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 30.0 mg/mL clear DMSO 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: ≥ 3 mg/mL (17.32 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 4 mg/mL (23.09 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication (<60°C). |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7733 mL | 28.8667 mL | 57.7334 mL | |
| 5 mM | 1.1547 mL | 5.7733 mL | 11.5467 mL | |
| 10 mM | 0.5773 mL | 2.8867 mL | 5.7733 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
