| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| Other Sizes |
| Targets |
This compound does not have a specific biological target; it is a chemical tool for pharmaceutical research. As a leucine derivative and peptidomimetic, it is designed to mimic peptide structures while incorporating a thiazolylcarbamoyl-piperidine moiety. It can be used in enzyme inhibition studies to probe the structure-activity relationships of leucine-containing bioactive peptides.
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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].
This compound is not a therapeutic agent and does not have established in vitro biological activity in a pharmacological sense. Its value is as a research tool for drug discovery. As a leucine analogue, it may be used to study enzyme-substrate interactions and to develop inhibitors of enzymes that recognize leucine-containing substrates. |
| ln Vivo |
This compound is not administered in vivo as a therapeutic agent. It is a research chemical utilized in pharmaceutical research and drug discovery. If it shows promising activity in vitro, it could be advanced to in vivo studies, but currently it is a tool compound for research purposes.
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| Enzyme Assay |
In vitro enzyme inhibition studies are the primary application for this compound. A typical protocol involves testing the compound against a target enzyme in a biochemical assay, measuring its IC50 or Ki values. The compound is dissolved in DMSO (90 mg/mL solubility) and diluted into assay buffer to test its inhibitory activity against the enzyme of interest.
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| Cell Assay |
This compound is not used in standard cell-based assays as a therapeutic agent. Its role is as a research tool in drug discovery. It should be stored as a solid under recommended conditions. Information concerning product stability, particularly in solution, has rarely been reported.
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| Animal Protocol |
In vivo animal experiments are not typically performed with this compound as it is a research tool. If it demonstrates potent enzyme inhibition in vitro, it could be advanced to pharmacokinetic and efficacy studies in animal models. However, currently it is primarily used for in vitro research purposes.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not well-documented as this is not a drug. It is a small molecule (MW 368.45 g/mol) with the formula C16H24N4O4S. Its properties, such as solubility (DMSO 90 mg/mL), are relevant for in vitro assay development. Further ADME studies would be required for drug development.
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| Toxicity/Toxicokinetics |
The toxicity of this compound is not extensively documented. As a research chemical, it should be handled with standard laboratory precautions. It is not intended for human or veterinary use. The product is for research purposes only and should be handled in a well-ventilated area with appropriate personal protective equipment.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
(4-(Thiazol-2-ylcarbamoyl)piperidine-1-carbonyl)-L-leucine is a leucine analogue and peptidomimetic compound used in pharmaceutical research. The thiazole and piperidine moieties provide drug-like properties, making it a useful scaffold for developing enzyme inhibitors. It is not a pharmaceutical and has no clinical trials or approved therapeutic status.
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| Molecular Formula |
C16H24N4O4S
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|---|---|
| Molecular Weight |
368.451162338257
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| Exact Mass |
368.151
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| CAS # |
1814897-92-1
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| PubChem CID |
126483176
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| Appearance |
White to off-white solid powder
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| LogP |
1.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
25
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| Complexity |
495
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)C[C@@H](C(=O)O)NC(=O)N1CCC(CC1)C(=O)NC2=NC=CS2
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| InChi Key |
XXKUWDIUUZIARI-LBPRGKRZSA-N
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| InChi Code |
InChI=1S/C16H24N4O4S/c1-10(2)9-12(14(22)23)18-16(24)20-6-3-11(4-7-20)13(21)19-15-17-5-8-25-15/h5,8,10-12H,3-4,6-7,9H2,1-2H3,(H,18,24)(H,22,23)(H,17,19,21)/t12-/m0/s1
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| Chemical Name |
(2S)-4-methyl-2-[[4-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic 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 (271.41 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.79 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 (6.79 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 (6.79 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 | 2.7141 mL | 13.5704 mL | 27.1407 mL | |
| 5 mM | 0.5428 mL | 2.7141 mL | 5.4281 mL | |
| 10 mM | 0.2714 mL | 1.3570 mL | 2.7141 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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