![O-Acetyl-N-[(1,1-dimethylethoxy)carbonyl]-L-threonine](/upload/1124/V43904.png)
| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg | |||
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| Targets |
O-Acetyl-N-[(1,1-dimethylethoxy)carbonyl]-L-threonine is not a drug and does not have a defined biological target. Its function is solely chemical: as a synthetic intermediate. The compound is designed to participate in peptide bond formation, where its carboxylic acid group can be activated to react with another amino group. The Boc (tert-butoxycarbonyl) group on the amine temporarily protects it from unwanted side reactions.
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| ln Vitro |
As a chemical intermediate, this compound does not have an inherent in vitro biological activity. Its value lies in its use for the solid- or solution-phase synthesis of peptides and bioactive compounds. When incorporated into a larger peptide chain, the resulting peptide may possess biological activity. Standard in vitro assays would be performed on the final deprotected peptide, not on this protected building block itself.
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| ln Vivo |
O-Acetyl-N-[(1,1-dimethylethoxy)carbonyl]-L-threonine is not an active pharmaceutical ingredient and therefore does not have in vivo biological activity. It is used exclusively as a reagent for the chemical synthesis of peptides. Any in vivo biological activity would be associated with the final peptide product synthesized using this building block. This compound 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 in organic synthesis. Standard protocols involve activating its carboxyl group with coupling reagents like HBTU or DCC in the presence of a base such as DIPEA. The reaction is carried out in anhydrous DMF or DCM at room temperature. The progress of the coupling reaction is monitored by TLC or HPLC, and the identity of the product is confirmed by mass spectrometry and NMR.
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| Cell Assay |
This chemical intermediate is not used in cell-based assays directly. It is designed as a starting material for the synthesis of peptides, which are then tested in cell culture. For example, the Boc group is removed using TFA (trifluoroacetic acid) to expose the free amine, and the compound is then coupled with other amino acids to build a longer peptide chain. The final peptide, after deprotection and purification, can be dissolved in DMSO and tested on cells.
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| Animal Protocol |
This compound is not used in animal experiments as a therapeutic agent. It serves as a building block for the synthesis of peptides that may later be tested in vivo. For instance, it can be used to introduce a radio-labeled or chemically modified amino acid into a peptide sequence. The resulting peptide, once purified and validated, could be administered to animals to study its pharmacology or distribution.
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| ADME/Pharmacokinetics |
As a chemical building block, pharmacokinetic (PK) properties have not been determined for this intermediate. The molecule has a molecular weight of 261.27 g/mol and a molecular formula of C11H19NO6. It is soluble in organic solvents like DMSO and dichloromethane, but has low solubility in aqueous solutions. Upon incorporation into a peptide, the PK properties of the final molecule are determined by the peptide's overall structure and charge.
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| Toxicity/Toxicokinetics |
Toxicity and safety information for this compound is limited, as it is a chemical reagent for research. Standard safety data sheets classify it for research use only and not for human use. While no specific toxicological data is available, it should be handled with caution in a chemical fume hood using appropriate personal protective equipment (lab coat, gloves, safety glasses). It is not a clinical compound, so no human toxicity data exists.
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| Additional Infomation |
O-Acetyl-N-[(1,1-dimethylethoxy)carbonyl]-L-threonine is a standard building block in peptide chemistry. The Boc protecting group is acid-labile and can be removed under mildly acidic conditions (e.g., TFA in DCM). The O-acetyl group on the threonine side chain is a protecting group for the hydroxyl moiety and is typically base-labile. This combination of protecting groups allows for orthogonal deprotection strategies in complex peptide synthesis. The compound has no clinical or therapeutic applications on its own.
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| Molecular Formula |
C11H19NO6
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| Molecular Weight |
261.2717
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| Exact Mass |
261.121
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| CAS # |
45214-52-6
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| PubChem CID |
73553823
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
1.306
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
18
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| Complexity |
333
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O(C(N([H])[C@@]([H])(C(=O)O[H])[C@]([H])(C([H])([H])[H])OC(C([H])([H])[H])=O)=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
ZBDQHSHVSLIFAR-SVRRBLITSA-N
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| InChi Code |
InChI=1S/C11H19NO6/c1-6(17-7(2)13)8(9(14)15)12-10(16)18-11(3,4)5/h6,8H,1-5H3,(H,12,16)(H,14,15)/t6-,8+/m1/s1
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| Chemical Name |
(2S,3R)-3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]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 (~382.75 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 | 3.8275 mL | 19.1373 mL | 38.2746 mL | |
| 5 mM | 0.7655 mL | 3.8275 mL | 7.6549 mL | |
| 10 mM | 0.3827 mL | 1.9137 mL | 3.8275 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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