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| Other Sizes |
| Targets |
This compound does not have a specific biological target; it functions as a chemical building block for peptide synthesis and as a research tool. As a D-valine derivative, it is used to introduce acetylated D-valine residues into peptides, which can alter the peptide's conformation and interactions. It is valuable in studies of peptide folding, stability, and function, as well as in investigating the role of acetylation in protein function and cellular processes. Acetyl-D-valine may also be used in the treatment of bacterial infections caused by Stenotrophomonas maltophilia.
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| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
This compound is not a therapeutic agent and does not have established in vitro biological activity in a pharmacological sense. Its value lies in its chemical utility as a protected amino acid intermediate and research tool. Amino acid derivatives have been commercially used as ergogenic supplements affecting the release of anabolic hormones, the availability of fuel for activity, and the prevention of muscular damage brought on by exertion. However, N-Acetyl-D-valine itself is primarily used in research applications rather than as a directly active pharmacological agent. |
| ln Vivo |
This compound is not administered in vivo as a therapeutic agent. It is a research chemical utilized as a building block in peptide synthesis and as a tool for studying protein function. The final peptide product containing acetylated D-valine residues, not this acetylated amino acid intermediate, would be the subject of in vivo pharmacological testing for therapeutic efficacy and safety. As a metabolite found in yeast, it may be studied in metabolic research, but it is not administered as a therapeutic agent.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable to N-Acetyl-D-valine as it is not a drug. Its use is in organic synthesis and biochemical research. It can be used as a building block in peptide synthesis to incorporate acetylated D-valine residues. It is valuable in studies of peptide folding, stability, and function, as well as in investigating the role of acetylation in protein function and cellular processes. It may also be used in enzyme assays to study valine metabolism and acetylation pathways.
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| Cell Assay |
This compound is not used in cell-based assays as a therapeutic agent. Its role is as a research chemical and building block for peptide synthesis. It should be stored at room temperature in a cool and dark place below 15°C. It is a solid at 20°C. Purity is typically ≥95.0% by HPLC and ≥98.0% by neutralization titration. It is soluble in common organic solvents. The product is for research purposes only and is not intended for human or veterinary use.
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| Animal Protocol |
In vivo animal experiments do not involve N-Acetyl-D-valine as a test article. It is a chemical intermediate used in the synthesis of peptide-based drug candidates. If used to synthesize a therapeutic peptide, that final product would be subjected to animal testing. The acetylated valine itself is not administered to animals as a therapeutic agent. It may be studied in animal models as part of metabolic research or to investigate the role of acetylation in protein function, but it is not a therapeutic agent itself.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to N-Acetyl-D-valine as it is not a drug. It is a small molecule (MW 159.18 g/mol) with the formula C7H13NO3. Its specific rotation [α]20/D is -11.0 to -14.0 degrees (c=1). These properties are relevant for chemical handling and storage rather than for systemic exposure studies. As a metabolite found in yeast, it may be part of metabolic pathways, but pharmacokinetic parameters are not typically studied for this compound.
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| Toxicity/Toxicokinetics |
The toxicity of N-Acetyl-D-valine is not extensively documented, as it is a research chemical not intended for human or veterinary use. It should be handled with standard laboratory precautions, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound is a solid at room temperature and should be stored in a cool, dark place below 15°C. It is not intended for diagnostic, therapeutic, or other medical applications.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
N-acetyl-D-valine is a metabolite found or produced in Saccharomyces cerevisiae.
This compound is an N-acetylated derivative of D-valine used as a building block in peptide synthesis. Acetylation is a common post-translational modification that can affect protein function, stability, and interactions. The D-enantiomer provides resistance to proteolytic degradation, making it valuable for studying peptide stability and for developing peptide-based therapeutics. It is a metabolite found in Saccharomyces cerevisiae. It is not a pharmaceutical and has no clinical trials or approved therapeutic status. |
| Molecular Formula |
C7H13NO3
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|---|---|
| Molecular Weight |
159.18
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| Exact Mass |
159.089
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| CAS # |
17916-88-0
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| PubChem CID |
76475
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
362.2±25.0 °C at 760 mmHg
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| Melting Point |
167-169℃
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| Flash Point |
172.8±23.2 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.457
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| LogP |
-0.19
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
11
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| Complexity |
165
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)[C@H](C(=O)O)NC(=O)C
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| InChi Key |
IHYJTAOFMMMOPX-ZCFIWIBFSA-N
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| 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-/m1/s1
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| Chemical Name |
(2R)-2-acetamido-3-methylbutanoic 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 | 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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