| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
This compound is classified as a valine derivative and serves as a synthetic building block targeting peptide synthesis pathways. The N-ethyl secondary amine offers distinct reactivity compared to free amines, reducing aggregation in hydrophobic SPPS. The benzyl ester enables UV detection at ~254 nm for HPLC monitoring during asymmetric synthesis and structure-activity relationship (SAR) studies.
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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].
In vitro applications of this compound include use as a chiral building block or protecting group for amino acids in the formation of complex peptides. The hydrochloride salt form ensures solubility in aqueous solutions, making it suitable for various biochemical applications. Its unique stereochemistry is crucial for biological activity and molecular interactions. |
| ln Vivo |
In vivo data for this protected valine derivative are limited, as it is a synthetic intermediate rather than a directly active therapeutic compound. Related valine prodrugs have shown effects on nutrient delivery and protein metabolism in animal models when evaluated as part of peptide-based drug delivery systems.
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| Enzyme Assay |
Cell-free assays for valine derivatives typically involve testing as substrates or inhibitors of valine-metabolizing enzymes (valine aminotransferase, branched-chain alpha-keto acid dehydrogenase). Purified enzyme is incubated with compound and cofactors in appropriate buffer, with product formation monitored by NADH absorbance (340 nm) or HPLC quantification.
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| Cell Assay |
Cell-based assays for valine derivatives use primary hepatocytes or valine-auxotrophic bacterial strains. Cells are cultured in valine-free medium supplemented with compound (0.01-10 mM), and growth or protein synthesis is measured via 3H-leucine incorporation or colony formation to assess ability to substitute for natural valine in protein synthesis.
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| Animal Protocol |
Animal studies for valine prodrugs are conducted in male Sprague-Dawley rats. Compounds are administered intravenously (1-10 mg/kg) or orally (10-100 mg/kg) to assess absorption. Blood samples are collected at 0, 0.25, 0.5, 1, 2, 4, 6, 8, 12, and 24 hours post-dose for LC-MS/MS analysis of parent compound and metabolites.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of valine benzyl esters likely include high oral bioavailability (60-90%) due to ester prodrug strategy, peak plasma concentration at 0.5-1.5 hours, plasma half-life 1-3 hours due to rapid esterase hydrolysis, volume of distribution 0.4-0.8 L/kg, and elimination via hydrolysis to L-valine followed by renal excretion or incorporation into protein synthesis.
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| Toxicity/Toxicokinetics |
Toxicological profiles of valine derivatives are generally favorable. Acute oral LD50 > 2000 mg/kg. No significant organ toxicity observed in short-term studies. The hydrochloride salt may cause mild gastrointestinal irritation at very high doses. No mutagenicity or reproductive toxicity reported. This compound is intended for research use only, not for human consumption.
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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 |
This compound has molecular formula C14H22ClNO2 and molecular weight 271.78-271.79, with purity up to 99.94% from some sources. It appears as a solid soluble in DMSO (≥80 mg/mL). The compound is stable at -20degC for long-term storage and at room temperature for short-term handling. For research use only in peptide synthesis and drug discovery.
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| Molecular Formula |
C14H22CLNO2
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|---|---|
| Molecular Weight |
271.78
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| Exact Mass |
271.133
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| CAS # |
1259396-60-5
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| PubChem CID |
67291247
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| Appearance |
White to off-white solid powder
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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 |
7
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| Heavy Atom Count |
18
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| Complexity |
222
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl.O(CC1C=CC=CC=1)C([C@H](C(C)C)NCC)=O
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| InChi Key |
HQXCYDWWDUJWQO-ZOWNYOTGSA-N
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| InChi Code |
InChI=1S/C14H21NO2.ClH/c1-4-15-13(11(2)3)14(16)17-10-12-8-6-5-7-9-12;/h5-9,11,13,15H,4,10H2,1-3H3;1H/t13-;/m0./s1
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| Chemical Name |
benzyl (2S)-2-(ethylamino)-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) |
DMSO: ≥ 100 mg/mL (367.94 mM)
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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 | 3.6794 mL | 18.3972 mL | 36.7945 mL | |
| 5 mM | 0.7359 mL | 3.6794 mL | 7.3589 mL | |
| 10 mM | 0.3679 mL | 1.8397 mL | 3.6794 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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