| Size | Price | Stock | Qty |
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| 5g |
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| Other Sizes |
| Targets |
1-Boc-L-azetidine-2-carboxylic acid does not have a defined pharmacological target as it is a synthetic intermediate and chiral building block. The compound is used as a building block for synthesizing pharmaceutical compounds including the thrombin inhibitor Melagatran or Exenta. In peptide chemistry, it serves as a lower homologue of proline. The Boc protecting group allows for selective deprotection and further functionalization during synthesis.
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| ln Vitro |
No direct in vitro pharmacological activity data are available for 1-Boc-L-azetidine-2-carboxylic acid as it is a synthetic intermediate. The compound is used in medicinal chemistry as a building block for synthesizing libraries of azetidine-based compounds. Its activity is assessed in terms of synthetic utility, enantiomeric purity, and reactivity rather than direct biological activity. The compound is used in Boc solid-phase peptide synthesis.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for 1-Boc-L-azetidine-2-carboxylic acid as it is not a therapeutic agent. The compound is used in chemical synthesis and is not administered directly to animals. Its derivatives, including thrombin inhibitors, may be evaluated in animal models depending on the therapeutic area. The compound is handled in chemistry laboratories for organic synthesis applications.
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| Enzyme Assay |
For non-cellular assays, 1-Boc-L-azetidine-2-carboxylic acid is characterized by standard analytical techniques including NMR, HPLC, chiral HPLC, and mass spectrometry to confirm identity, enantiomeric purity, and chemical purity. The compound can be evaluated as a chiral building block in various organic reactions. Typical protocols involve dissolving the compound in appropriate solvents and analyzing reaction products by chromatographic methods. Purity is ≥98.0% by TLC. Optical activity: [α]/D -120.0±2.0°, c = 1 in methanol.
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| Cell Assay |
For in vitro cell-based studies, 1-Boc-L-azetidine-2-carboxylic acid is not typically used as a direct test compound. The compound is used as a building block for synthesizing biologically active molecules that are subsequently tested in cell-based assays. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored in a cool, dry place protected from light and moisture.
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| Animal Protocol |
For in vivo animal studies, 1-Boc-L-azetidine-2-carboxylic acid is not administered directly as a test compound. The compound is used in chemical synthesis to produce pharmaceutical candidates that are subsequently evaluated in animal models. Storage: keep in a cool, dry place protected from light and moisture. Standard handling procedures for Boc-protected amino acids should be followed.
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| ADME/Pharmacokinetics |
1-Boc-L-azetidine-2-carboxylic acid has a molecular weight of 201.22 and molecular formula C9H15NO4. It appears as crystals with optical activity [α]/D -120.0±2.0° (c = 1 in methanol). Purity: ≥98.0% by TLC. Storage: keep in a cool, dry place protected from light and moisture. The compound is used in Boc solid-phase peptide synthesis. Solubility: soluble in methanol and common organic solvents.
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| Toxicity/Toxicokinetics |
1-Boc-L-azetidine-2-carboxylic acid is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD50 values and detailed toxicological profiles have not been extensively reported. The compound should be handled with care as with all laboratory chemicals.
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| Additional Infomation |
1-Boc-L-azetidine-2-carboxylic acid (CAS 51077-14-6) is also known as (S)-1-(tert-butoxycarbonyl)azetidine-2-carboxylic acid, (S)-1-Boc-2-azetidinecarboxylic acid, and (S)-azetidine-1,2-dicarboxylic acid 1-tert-butyl ester. It is a chiral, non-proteinogenic amino acid derivative featuring a four-membered azetidine ring. The compound is used as a building block for synthesizing thrombin inhibitors and in peptide chemistry. No clinical trials or therapeutic approvals exist for the parent compound.
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| Molecular Formula |
C9H15NO4
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|---|---|
| Molecular Weight |
201.22
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| Exact Mass |
201.1
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| CAS # |
51077-14-6
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| PubChem CID |
2734495
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
321.0±35.0 °C at 760 mmHg
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| Melting Point |
105-110 °C
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| Flash Point |
147.9±25.9 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.510
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| LogP |
0.29
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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 |
3
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| Heavy Atom Count |
14
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| Complexity |
256
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)N1CC[C@H]1C(O)=O
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| InChi Key |
JWJVSDZKYYXDDN-LURJTMIESA-N
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| InChi Code |
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
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| Chemical Name |
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic 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 | 4.9697 mL | 24.8484 mL | 49.6968 mL | |
| 5 mM | 0.9939 mL | 4.9697 mL | 9.9394 mL | |
| 10 mM | 0.4970 mL | 2.4848 mL | 4.9697 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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