| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
As a labeled amino acid derivative, D-Alanine-3,3,3-N-t-Boc-d3 does not have a specific pharmacological target. D-Alanine-N-t-Boc is used as a building block in peptide synthesis, where D-alanine contributes to peptide structure and function. The deuterated form is used to trace peptide synthesis and amino acid metabolism.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
D-Alanine-3,3,3-N-t-Boc-d3 is used in vitro as a tracer to study peptide synthesis and D-alanine metabolism. The compound is incorporated into peptide synthesis reactions or cell culture media to track amino acid incorporation. It does not exhibit intrinsic pharmacological activity but serves as a quantitative tool for studying peptide synthesis and cellular metabolism. |
| ln Vivo |
In vivo, D-Alanine-3,3,3-N-t-Boc-d3 is used in metabolic studies to trace the absorption, distribution, metabolism, and excretion of D-alanine derivatives. The deuterium label allows for precise quantification of the compound and its metabolites in biological fluids and tissues using mass spectrometry.
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| Enzyme Assay |
As an analytical standard, D-Alanine-3,3,3-N-t-Boc-d3 is used in peptide synthesis and quantitative proteomics. Typical protocols involve spiking the labeled compound into samples prior to analysis by LC-MS. The compound serves as an internal standard to correct for matrix effects and instrument variability.
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| Cell Assay |
In vitro cell culture experiments using D-Alanine-3,3,3-N-t-Boc-d3 involve supplementing growth media with the labeled compound at defined concentrations. Cells are cultured for specified periods, after which the metabolism of the compound is analyzed by mass spectrometry.
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| Animal Protocol |
In vivo animal studies using D-Alanine-3,3,3-N-t-Boc-d3 typically involve administering the compound to rodents via oral gavage or intravenous injection. Blood, urine, and tissue samples are collected at various time points to track the distribution and metabolism of the compound.
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| ADME/Pharmacokinetics |
D-Alanine-3,3,3-N-t-Boc-d3 exhibits pharmacokinetic properties similar to those of unlabeled D-Alanine-N-t-Boc. As a protected amino acid derivative, it is metabolized to alanine and Boc derivatives. The deuterium label provides a distinct mass shift for analytical detection.
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| Toxicity/Toxicokinetics |
D-Alanine-3,3,3-N-t-Boc-d3 is considered safe for research use at typical concentrations. The compound is stable if stored under recommended conditions. As a stable isotope-labeled compound, it is not intended for therapeutic use and is handled under standard laboratory safety practices.
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| References | |
| Additional Infomation |
D-Alanine-3,3,3-N-t-Boc-d3 has a molecular formula of C8H10D3NO4 and a molecular weight of 190.22. Isotopic enrichment is typically 98 atom% D. The compound is primarily used as an internal standard for mass spectrometry-based quantification in peptide synthesis and proteomics.
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| Molecular Formula |
C8H12D3NO4
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|---|---|
| Molecular Weight |
192.23
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| Exact Mass |
192.118
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| CAS # |
177614-70-9
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| Related CAS # |
N-tert-Butoxycarbonyl-D-alanine;7764-95-6
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| PubChem CID |
16052265
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
320.9±25.0 °C at 760 mmHg
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| Flash Point |
147.9±23.2 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.460
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| LogP |
1.1
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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 |
4
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| Heavy Atom Count |
13
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| Complexity |
207
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[2H]C([2H])([2H])[C@H](C(=O)O)NC(=O)OC(C)(C)C
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| InChi Key |
QVHJQCGUWFKTSE-YXLFGOCJSA-N
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| InChi Code |
InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1/i1D3
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| Chemical Name |
(2R)-3,3,3-trideuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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 | 5.2021 mL | 26.0105 mL | 52.0210 mL | |
| 5 mM | 1.0404 mL | 5.2021 mL | 10.4042 mL | |
| 10 mM | 0.5202 mL | 2.6011 mL | 5.2021 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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