| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| Other Sizes |
| Targets |
N-(Methoxycarbonyl)-D-valine methyl ester is not a drug and does not have a defined biological target. Its value lies in its chemical structure as a protected D-valine building block. It is used in the creation of bioactive peptides and for studying the structure-activity relationships (SAR) of D-valine in peptides, investigating its role in protein function and stability. It is an intermediate in organic synthesis.
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| ln Vitro |
As a chemical synthetic intermediate, N-(Methoxycarbonyl)-D-valine methyl ester is not designed to have inherent in vitro biological activity. Its purpose is to serve as a building block. Any biological activity would be associated with the final deprotected peptide or compound that is synthesized using this derivative. Standard in vitro assays would be performed on the final, fully deprotected peptide, not on this protected intermediate.
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| ln Vivo |
This compound is not an active pharmaceutical ingredient and does not have in vivo biological activity. It is exclusively a reagent for the chemical synthesis of peptides and other compounds. Any in vivo effects would only be observed after the intermediate has been incorporated into a larger, biologically active molecule and that molecule has been administered to an animal. This intermediate itself is not administered in animal studies.
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| Enzyme Assay |
For non-cell-based assays, this compound is used as a reactant. Standard protocols involve deprotecting the methyl ester with a base (e.g., 1M NaOH in MeOH) to reveal the free carboxylic acid. Alternatively, the Boc-like carbamate group can be removed with mild acid. The resulting free amino acid (D-valine) can be quantified using standard amino acid analysis techniques, such as derivatization with ninhydrin or OPA, followed by HPLC detection.
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| Cell Assay |
This chemical intermediate is not used directly in cell-based assays. It is designed as a building block for peptide synthesis. A typical workflow involves coupling this compound to a growing peptide chain on a solid support. The methyl ester is selectively cleaved before coupling to another amino acid. After the full peptide sequence is assembled and deprotected, the peptide is cleaved from the resin, purified by HPLC, and then tested on cells in a functional assay.
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| Animal Protocol |
This compound is not used in animal experiments. It serves as a synthetic intermediate. For radiolabeling studies, a custom synthesis could be performed to incorporate a 14C label into the methyl ester group. The resulting labeled peptide could then be administered to rodents to study the tissue distribution and metabolism of the peptide. The labeled derivative would be used as a tracer, and plasma and organ samples would be analyzed by liquid scintillation counting.
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| ADME/Pharmacokinetics |
As a small, uncharged molecule (MW 189.21), N-(Methoxycarbonyl)-D-valine methyl ester is lipophilic and would have good membrane permeability. However, it is not a drug and pharmacokinetic data is not available. After incorporation into a peptide, the peptide's own PK properties (e.g., clearance, half-life) would be determined by its sequence, size, and charge. The methyl ester group is likely to be rapidly hydrolyzed by plasma esterases in vivo, so it serves as a pro-drug-like moiety to improve cellular uptake of the peptide.
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| Toxicity/Toxicokinetics |
Specific toxicology data is not available for this compound as it is a chemical reagent, not a clinical drug. It is intended for research use only and not for human use. Standard safety data sheets classify it as a potential irritant. It should be handled with care using appropriate personal protective equipment (lab coat, gloves, goggles) in a well-ventilated area. No specific acute or chronic toxicity data has been determined.
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| Additional Infomation |
N-(Methoxycarbonyl)-D-valine methyl ester is a protected derivative of the non-natural amino acid D-valine. While L-valine is common in natural proteins, D-valine is not typically found and is used in peptides to increase resistance to proteolytic degradation. This makes this building block useful for the synthesis of metabolically stable peptide therapeutics. It is a typical example of an amino acid derivative used in solid-phase peptide synthesis (SPPS). It has no clinical applications or status.
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| Molecular Formula |
C8H15NO4
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|---|---|
| Molecular Weight |
189.209002733231
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| Exact Mass |
189.1
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| CAS # |
153575-98-5
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| PubChem CID |
2304602
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| Appearance |
Colorless to light yellow oil
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
266.8±23.0 °C at 760 mmHg
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| Flash Point |
115.2±22.6 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.435
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| LogP |
1.21
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
13
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| Complexity |
191
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C)C(C(C(C)C)NC(=O)OC)=O
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| InChi Key |
QWGFBSMKDNXREL-ZCFIWIBFSA-N
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| InChi Code |
InChI=1S/C8H15NO4/c1-5(2)6(7(10)12-3)9-8(11)13-4/h5-6H,1-4H3,(H,9,11)/t6-/m1/s1
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| Chemical Name |
methyl (2R)-2-(methoxycarbonylamino)-3-methylbutanoate
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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 (~528.51 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (13.21 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 (13.21 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 (13.21 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 | 5.2851 mL | 26.4257 mL | 52.8513 mL | |
| 5 mM | 1.0570 mL | 5.2851 mL | 10.5703 mL | |
| 10 mM | 0.5285 mL | 2.6426 mL | 5.2851 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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