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| Other Sizes |
| Targets |
As a protected valine derivative, H-Val-NH2·HCl does not have a specific biological target. Its primary utility is as a chemical building block in organic synthesis, particularly in peptide chemistry. The compound serves as a protected valine unit that can be incorporated into peptide chains while the amide group protects the C-terminus from unwanted reactions. Valine is an essential amino acid that is involved in protein synthesis, nitrogen balance, and muscle metabolism, but in its protected form, the compound is not designed to interact with biological receptors or enzymes. Its value lies in its chemical properties as a synthetic intermediate, enabling the construction of complex peptides and pharmaceutical compounds.
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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].
H-Val-NH2·HCl does not exhibit pharmacological activity in vitro. As a protected amino acid amide, it is a synthetic intermediate rather than a bioactive compound. In vitro studies using this compound focus on its chemical reactivity, such as its use in peptide bond formation reactions, rather than assessments of pharmacological activity. The compound may be used as a substrate in enzymatic assays to study amidase or protease activity, as the amide bond can be cleaved by certain hydrolases. However, these are analytical applications rather than pharmacological assessments. The compound does not bind to receptors, inhibit enzymes, or produce cytotoxic effects in cell-based assays at concentrations typically used for synthesis. It is used as a raw material for the preparation of dipeptide derivatives and other bioactive compounds. |
| ln Vivo |
H-Val-NH2·HCl is not a pharmacologically active compound and therefore does not have defined in vivo activity as a drug. When administered to animals, the compound would likely be metabolized to release valine, which would then enter normal metabolic pathways. The amide group may provide enhanced stability compared to free valine, potentially improving the compound's half-life in circulation. However, the compound is not used therapeutically, and its in vivo effects would be limited to those of the released valine, which is an essential amino acid involved in protein synthesis and energy metabolism. Its primary value remains in synthetic chemistry.
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| Enzyme Assay |
In vitro enzyme assays for H-Val-NH2·HCl are typically designed to study amidase or protease activity. A standard protocol involves incubating the compound with an enzyme preparation, such as plasma, tissue homogenates, or purified amidases, in a suitable buffer at physiological pH and temperature. The hydrolysis of the amide bond releases valine and ammonia, which can be quantified by HPLC, GC, or colorimetric methods. Alternatively, the decrease in substrate concentration can be monitored. The reaction is initiated by addition of the substrate, and the initial velocity is measured over time. These assays are used to characterize the substrate specificity of amidases, to screen for enzyme inhibitors, or to evaluate the stability of amide protecting groups in biological matrices.
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| Cell Assay |
In vitro cellular assays using H-Val-NH2·HCl are limited due to the compound's role as a synthetic intermediate rather than a bioactive molecule. However, it can be used in cell culture studies to investigate the intracellular delivery of valine via amide hydrolysis. Cells are cultured in media supplemented with the compound, and cellular uptake, amide hydrolysis, and valine release are monitored. The effects of increased intracellular valine on cellular metabolism, protein synthesis, or energy production can be assessed. These experiments are typically conducted in cell lines such as hepatocytes or muscle cells, and endpoints are measured using biochemical assays or mass spectrometry. The compound's ability to penetrate cell membranes may be enhanced by the lipophilic nature of the valine side chain, making it useful for studying valine's intracellular functions.
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| Animal Protocol |
In vivo animal studies with H-Val-NH2·HCl are primarily conducted in the context of nutritional or metabolic research. A typical protocol involves oral or intraperitoneal administration of the compound to rodents at doses ranging from 10 to 500 mg/kg. Blood samples are collected at various time points to measure valine and ammonia levels, allowing assessment of the compound's absorption, hydrolysis, and pharmacokinetics. The compound's ability to elevate plasma valine concentrations and its effects on valine metabolism, muscle protein synthesis, or nitrogen balance may be evaluated. These studies help to understand the bioavailability of amino acid amides and their utility as valine delivery agents for nutritional supplementation or metabolic research.
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| ADME/Pharmacokinetics |
As a valine amide, H-Val-NH2·HCl is expected to be absorbed after oral administration, although detailed pharmacokinetic data are not well-documented. The compound is likely hydrolyzed by amidases in the gastrointestinal tract, liver, and plasma to release valine and ammonia. The amide group may provide enhanced stability compared to free valine, potentially prolonging the compound's half-life. Following hydrolysis, valine enters the endogenous amino acid pool and is distributed throughout the body via the circulation. Valine is metabolized primarily in muscle tissue through transamination and oxidative decarboxylation. The pharmacokinetic profile of the compound is primarily determined by the rate of amide hydrolysis and the subsequent metabolism of valine. The compound has a melting point of 230-234°C (dec.) and is soluble in water.
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| Toxicity/Toxicokinetics |
The hydrochloride salt of valine amide is generally considered to have low toxicity, consistent with its use as a chemical reagent and its metabolic conversion to the essential amino acid valine. Acute toxicity is expected to be minimal, as valine has a very low toxicity profile. However, the compound may cause irritation upon contact with skin, eyes, or mucous membranes due to its acidic nature. Inhalation of the powder may cause respiratory irritation. The compound is not classified as a carcinogen, mutagen, or reproductive toxicant. Standard laboratory safety precautions, including the use of personal protective equipment, are recommended. No significant systemic toxicity is anticipated at typical research doses, as the compound is rapidly metabolized to valine and ammonia.
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| References | |
| Additional Infomation |
L-Valine amide hydrochloride (H-Val-NH2·HCl, CAS 2462-34-2) is a protected amino acid derivative used as a building block in peptide synthesis. Its chemical formula is C₅H₁₂N₂O·HCl and molecular weight is 152.62. The compound appears as a white to off-white solid with a melting point of 230-234°C (dec.). The amide group provides stable protection for the carboxyl function that can be selectively converted or cleaved under specific conditions. It is intended for research use only and is not for human therapeutic applications. The compound is typically stored at room temperature in a cool, dry place.
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| Molecular Formula |
C12H17NO2.HCL
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|---|---|
| Molecular Weight |
243.72982
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| Exact Mass |
243.102
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| CAS # |
2462-34-2
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| PubChem CID |
11601206
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| Appearance |
White to off-white solid powder
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| Boiling Point |
285.5ºC at 760 mmHg
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| Melting Point |
138 °C
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| Flash Point |
143.7ºC
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| Vapour Pressure |
0.0028mmHg at 25°C
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| Index of Refraction |
-10 ° (C=2, H2O)
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| LogP |
3.215
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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 |
5
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| Heavy Atom Count |
16
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| Complexity |
198
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)N.Cl
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| InChi Key |
ZIUNABFUHGBCMF-MERQFXBCSA-N
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| InChi Code |
InChI=1S/C12H17NO2.ClH/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;/h3-7,9,11H,8,13H2,1-2H3;1H/t11-;/m0./s1
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| Chemical Name |
benzyl (2S)-2-amino-3-methylbutanoate;hydrochloride
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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 | 4.1029 mL | 20.5145 mL | 41.0290 mL | |
| 5 mM | 0.8206 mL | 4.1029 mL | 8.2058 mL | |
| 10 mM | 0.4103 mL | 2.0515 mL | 4.1029 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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