| Size | Price | Stock | Qty |
|---|---|---|---|
| 25g |
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| Other Sizes |
| Targets |
As a synthetic intermediate, Boc‑Leucinol does not have a specific biological target. Its role is to serve as a chiral building block for the synthesis of biologically active compounds, such as enzyme inhibitors, receptor ligands, and natural product analogs. The amino alcohol functionality is a key motif in many pharmaceuticals, including protease inhibitors (e.g., HIV‑1 protease inhibitors) and β‑blockers. The leucine‑derived side chain (isobutyl) provides steric bulk and hydrophobic interactions that can enhance target binding. Boc‑Leucinol itself does not interact with biological macromolecules; its “target” is the chemical transformation (e.g., oxidation, substitution, or coupling) that converts it into a bioactive molecule. In medicinal chemistry, it is used to introduce the amino alcohol core, which can mimic the transition state of peptide hydrolysis, making it valuable for designing enzyme inhibitors.
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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].
The in vitro activity of Boc‑Leucinol is assessed through its reactivity in chemical reactions, not in biological assays. For example, it can be converted to its tosylate by treatment with p‑toluenesulfonyl chloride in pyridine, and the resulting tosylate can be displaced by nucleophiles to form various C‑N, C‑S, or C‑C bonds. Alternatively, it can be oxidized with TEMPO/bleach or Dess‑Martin periodinane to the corresponding aldehyde, which is a valuable intermediate for reductive amination. The reaction yields are typically high (>90%), and the compound's purity (≥98%) is confirmed by HPLC and NMR. No inherent biological activity is observed because the compound lacks the structural features (e.g., free amino group, carboxylic acid) necessary for receptor or enzyme interactions. Its in vitro utility is strictly chemical. |
| ln Vivo |
In vivo activity is not applicable for Boc‑Leucinol, as it is not intended for administration to living organisms. It is exclusively a research chemical and synthetic intermediate used in laboratory settings. The compound is not formulated for any route of administration, and no animal efficacy or safety studies have been conducted with the amino alcohol. Any biological activity would be associated with the final drug products derived from it, not with the intermediate itself. Its utility lies entirely in the chemical synthesis domain, and it is stored and handled under standard laboratory conditions without consideration for pharmacokinetic or pharmacodynamic properties.
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| Enzyme Assay |
The non‑cellular experimental workflow for Boc‑Leucinol involves standard organic synthesis and characterization procedures. A typical use: Boc‑Leucinol (1.0 equivalent) is dissolved in dry DCM, and tosyl chloride (1.1 equiv.) and pyridine (2 equiv.) are added at 0°C, then stirred at room temperature overnight. The reaction is monitored by TLC. After work‑up (extraction, washing, drying), the tosylate is purified by flash chromatography. Alternatively, Boc‑Leucinol is oxidized with Dess‑Martin periodinane (1.5 equiv.) in DCM at room temperature for 2 hours; the aldehyde is isolated by filtration and evaporation. Characterization includes ¹H‑NMR, ¹³C‑NMR, IR, and MS. The enantiomeric purity is confirmed by chiral HPLC or by comparison of optical rotation with literature values.
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| Cell Assay |
Cell‑based assays are not performed with Boc‑Leucinol.
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| Animal Protocol |
Animal experiments are not applicable.
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| ADME/Pharmacokinetics |
PK properties are not characterized.
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| Toxicity/Toxicokinetics |
Standard safety precautions apply; may cause irritation. Not a hazardous substance.
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| References | |
| Additional Infomation |
Boc‑Leucinol is a widely used chiral building block for the synthesis of biologically active amino alcohols, oxazoline ligands, and asymmetric catalysts. It is commercially available with high enantiomeric purity and is employed in both academic and pharmaceutical research. It is not a drug and has no clinical approvals. For research use only.
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| Molecular Formula |
C11H23NO3
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|---|---|
| Molecular Weight |
217.31
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| Exact Mass |
217.167
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| CAS # |
82010-31-9
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| PubChem CID |
7018766
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
319.3±25.0 °C at 760 mmHg
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| Flash Point |
146.9±23.2 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.454
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| LogP |
2.25
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
15
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| Complexity |
197
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)C[C@@H](CO)NC(=O)OC(C)(C)C
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| InChi Key |
LQTMEOSBXTVYRM-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C11H23NO3/c1-8(2)6-9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t9-/m0/s1
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| Chemical Name |
tert-butyl N-[(2S)-1-hydroxy-4-methylpentan-2-yl]carbamate
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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 | 4.6017 mL | 23.0086 mL | 46.0172 mL | |
| 5 mM | 0.9203 mL | 4.6017 mL | 9.2034 mL | |
| 10 mM | 0.4602 mL | 2.3009 mL | 4.6017 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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