| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
As an amino acid derivative and leucine analogue, (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid does not have a defined primary biological target as a standalone compound. Its primary role is as a protected amino acid building block in peptide synthesis. When incorporated into peptides, its biological activity is determined by the final peptide construct. The compound's structural similarity to natural amino acids makes it useful in studying protein-ligand interactions and enzyme inhibition. Research indicates that this compound can act as an inhibitor for certain enzymes involved in metabolic pathways when incorporated into appropriate peptide sequences.
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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].
Specific in vitro activity data for (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid as a standalone compound are not extensively documented. As a leucine analogue and protected amino acid building block, its in vitro effects are primarily studied in the context of peptide synthesis and organic chemistry applications rather than direct biological activity assays. When incorporated into peptides, the resulting constructs can be evaluated for various biological activities including enzyme inhibition, receptor binding, and antimicrobial properties. The compound's ability to mimic natural amino acids makes it useful in studying protein-ligand interactions. |
| ln Vivo |
Specific in vivo activity data for (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid as a standalone compound are not documented in the literature. As a protected amino acid building block for peptide synthesis, its in vivo effects are determined by the final peptide or protein construct into which it is incorporated. The Cbz protecting group is typically removed by hydrogenation or strong acids to yield the free amino acid before in vivo applications. The compound's structural similarity to natural amino acids suggests potential applications in drug design for creating analogs of biologically active peptides, which can enhance potency and selectivity.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid typically involve its use as a building block rather than direct enzyme binding evaluation. When incorporated into peptides, the resulting constructs can be assessed for enzyme inhibition using standard biochemical assays such as fluorometric or colorimetric substrate cleavage assays. The compound's structural similarity to leucine enables its use in studying enzyme-substrate interactions and inhibition profiles of various biochemical processes. Typical assay conditions include buffered solutions at physiological pH, with enzyme activity monitored over time to determine IC₅₀ or inhibition constants.
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| Cell Assay |
In vitro cell-based studies using (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid typically focus on the biological activities of peptides synthesized with this building block rather than the compound itself. When incorporated into peptides, the resulting constructs can be evaluated in various cell-based assays including cell viability assays (e.g., MTT, CCK-8), proliferation studies, apoptosis assays, and functional readouts such as cytokine secretion or signaling pathway activation. The compound may also play a role in modulating immune responses or serve as a scaffold for developing immunotherapeutics. Standard cell culture conditions (37°C, 5% CO₂) with appropriate cell lines are employed.
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| Animal Protocol |
In vivo animal studies using (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid are conducted with peptides synthesized from this building block rather than the compound itself. Typical experimental designs involve administration of the peptide construct to rodent models (e.g., mice or rats) via appropriate routes (intravenous, intraperitoneal, subcutaneous, or oral) depending on the therapeutic application. Endpoints may include efficacy measurements (tumor growth inhibition, biomarker modulation), pharmacokinetic sampling, and toxicological assessments. All procedures must comply with institutional animal care and use guidelines.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid as a standalone compound are not well characterized. The compound has a computed XLogP3-AA value of 2.8, indicating moderate lipophilicity. It has 2 hydrogen bond donors and 4 hydrogen bond acceptors. When incorporated into peptides, the pharmacokinetic properties are determined by the overall peptide construct. The Cbz protecting group is typically removed during peptide synthesis to yield the free amino acid, so the final peptide's PK profile is the primary consideration. The compound's moderate lipophilicity may influence its absorption and distribution characteristics in peptide constructs.
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| Toxicity/Toxicokinetics |
Toxicological data for (R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid as a standalone compound are not extensively documented. The compound is intended for research use only and is not approved for human or veterinary use. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. As an amino acid derivative, its toxicity profile is expected to be moderate, though comprehensive toxicological studies have not been published. For peptides synthesized using this building block, standard toxicological assessments would be performed on the final peptide product rather than on the individual amino acid building block.
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| References | |
| Additional Infomation |
(R)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid (CAS#: 70874-05-4) has a molecular formula of C₁₄H₁₉NO₄ and a molecular weight of 265.30 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid. The compound features a tert-butyl side chain providing steric bulk, characteristic of tert-leucine derivatives. The Cbz (benzyloxycarbonyl) protecting group can be removed using hydrogenation with palladium on carbon (Pd/C) and hydrogen gas, or using strong acids, to yield the free amino acid (R)-2-amino-3,3-dimethylbutanoic acid. Coupling reactions with other amino acids or peptides use reagents like carbodiimides (e.g., DCC, EDC). This compound is a valuable research reagent for peptide synthesis and drug design. It is not a drug and has not undergone clinical trials or received regulatory approval for therapeutic use; it is strictly a research reagent.
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| Molecular Formula |
C14H19NO4
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| Molecular Weight |
265.30
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| Exact Mass |
265.131
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| CAS # |
70874-05-4
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| PubChem CID |
10928903
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
436.4±38.0 °C at 760 mmHg
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| Flash Point |
217.7±26.8 °C
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| Vapour Pressure |
0.0±1.1 mmHg at 25°C
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| Index of Refraction |
1.528
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| LogP |
2.94
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
19
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| Complexity |
316
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)[C@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
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| InChi Key |
NSVNKQLSGGKNKB-NSHDSACASA-N
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| InChi Code |
InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
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| Chemical Name |
(2R)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic 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) |
DMSO: 100 mg/mL (376.93 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.42 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 (9.42 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 (9.42 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 | 3.7693 mL | 18.8466 mL | 37.6932 mL | |
| 5 mM | 0.7539 mL | 3.7693 mL | 7.5386 mL | |
| 10 mM | 0.3769 mL | 1.8847 mL | 3.7693 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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