| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
| Targets |
Acetylvaline does not have a well-defined pharmacological target. As an acetylated amino acid, it may be involved in amino acid metabolism and may serve as a substrate for enzymes that recognize N-acetylated amino acids. It is primarily used as a chemical intermediate and research tool.
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|---|---|
| ln Vitro |
In vitro activity of acetylvaline is limited. It has been studied for its effects on amino acid transporters and metabolism. As an N-acetylated amino acid, it may be recognized by enzymes involved in the metabolism of acetylated amino acids. However, specific pharmacological activities are not well characterized.
|
| ln Vivo |
In vivo activity of acetylvaline is not well documented. As a derivative of the essential amino acid valine, it may be metabolized and incorporated into metabolic pathways. However, specific therapeutic or pharmacological effects have not been extensively studied.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for acetylvaline are not commonly performed, as the compound is not a pharmacologically active drug. However, it can be used as a substrate or inhibitor in studies of enzymes that recognize N-acetylated amino acids, such as aminoacylase or other deacetylases.
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| Cell Assay |
Cell-based assays for acetylvaline are limited. The compound may be used in studies of amino acid transport and metabolism in cell culture. However, specific cellular effects have not been extensively characterized.
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| Animal Protocol |
In vivo animal studies for acetylvaline are not commonly reported. As a simple amino acid derivative, it may be used in nutritional or metabolic studies, but specific pharmacological effects have not been investigated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of acetylvaline are not well documented. As a small, water-soluble molecule, it is expected to be absorbed and distributed in the body. The compound may be metabolized by deacetylases to release valine, which is then incorporated into protein synthesis or other metabolic pathways.
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| Toxicity/Toxicokinetics |
Toxicological data for acetylvaline are limited. As a derivative of the essential amino acid valine, it is expected to have low toxicity. However, specific toxicological studies have not been reported. The compound is generally considered safe for research use.
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| Additional Infomation |
N-acetyl-L-valine is a derivative of L-valine, in which one amino hydrogen atom of L-valine is replaced by an acetyl group. It is an N-acetyl-L-amino acid and also a derivative of L-valine. It is the conjugate acid of N-acetyl-L-valine.
Acetylvaline (CAS# 96-81-1) is an N-acetylated derivative of the amino acid valine. It is used as a chiral building block in organic synthesis and as a research tool in amino acid metabolism studies. The compound is a small, water-soluble molecule with low toxicity. It is for research use only and is not intended for therapeutic or human use. |
| Molecular Formula |
C7H13NO3
|
|---|---|
| Molecular Weight |
159.18302
|
| Exact Mass |
159.089
|
| CAS # |
96-81-1
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| Related CAS # |
Acetylvaline-15N;355808-21-8
|
| PubChem CID |
66789
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
362.2±25.0 °C at 760 mmHg
|
| Melting Point |
165 °C
|
| Flash Point |
172.8±23.2 °C
|
| Vapour Pressure |
0.0±1.7 mmHg at 25°C
|
| Index of Refraction |
1.457
|
| LogP |
-0.19
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
11
|
| Complexity |
165
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC(C)[C@@H](C(=O)O)NC(=O)C
|
| InChi Key |
IHYJTAOFMMMOPX-LURJTMIESA-N
|
| InChi Code |
InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11)/t6-/m0/s1
|
| Chemical Name |
(2S)-2-acetamido-3-methylbutanoic 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 : ~100 mg/mL (~628.22 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (15.71 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 25.0 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: ≥ 2.5 mg/mL (15.71 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 25.0 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: ≥ 2.5 mg/mL (15.71 mM) (saturation unknown) in 10% DMSO + 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 | 6.2822 mL | 31.4110 mL | 62.8220 mL | |
| 5 mM | 1.2564 mL | 6.2822 mL | 12.5644 mL | |
| 10 mM | 0.6282 mL | 3.1411 mL | 6.2822 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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