| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| 5g |
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| Other Sizes |
| Targets |
This compound is classified as an isoleucine derivative targeting branched-chain amino acid metabolic pathways. It may interact with enzymes involved in protein synthesis, amino acid transport systems, or leucine-isoleucine-valine (BCAA) metabolism, including branched-chain amino acid aminotransferase (BCAT) and branched-chain alpha-keto acid dehydrogenase (BCKDH).
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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].
As an amino acid derivative, N-Benzyl-L-isoleucine has been shown to influence anabolic hormone secretion, fuel availability during exercise, mental performance under stress, and prevention of exercise-induced muscle damage. These ergogenic properties make amino acid derivatives beneficial as dietary supplement components. |
| ln Vivo |
In vivo studies on isoleucine and its derivatives indicate effects on insulin secretion, glucose uptake, and protein synthesis. Isoleucine analogs may modulate mTOR signaling pathways in muscle tissue, promoting nitrogen retention and reducing muscle protein breakdown in response to exercise or metabolic stress in animal models.
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| Enzyme Assay |
Cell-free enzyme assays for isoleucine derivatives typically use purified branched-chain aminotransferase (BCAT) in reaction buffer containing alpha-ketoglutarate, NADH, and glutamate dehydrogenase. Compound addition leads to NADH oxidation measured spectrophotometrically at 340 nm, allowing determination of Ki values for competitive inhibition studies.
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| Cell Assay |
Cell-based assays for isoleucine analogs commonly use primary rat hepatocytes or C2C12 myotubes. Cells are cultured in low-serum medium, treated with compound (0.1-10 mM) for 2-24 hours, then harvested for Western blot analysis of phosphorylated mTOR, S6K1, and 4E-BP1 to assess activation of protein synthesis pathways.
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| Animal Protocol |
Animal studies with isoleucine derivatives typically use male Wistar rats or C57BL/6 mice. Animals receive compound via oral gavage (50-500 mg/kg) or intraperitoneal injection. Endpoints include plasma BCAA levels, muscle protein synthesis rates measured via deuterium oxide incorporation, and exercise performance in treadmill or forced swim tests.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of N-benzyl-isoleucine derivatives likely include moderate oral bioavailability (30-60%) due to active peptide transporter (PEPT1) mediation, peak plasma concentration at 1-3 hours, half-life 2-5 hours, volume of distribution 0.4-0.7 L/kg, and elimination via urine as metabolites or parent compound.
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| Toxicity/Toxicokinetics |
Toxicological studies of isoleucine derivatives generally show low toxicity profiles. Acute oral LD50 > 3000 mg/kg in rodents. Repeat-dose toxicity studies (28-day) reveal no significant organ abnormalities at doses up to 1000 mg/kg/day. No mutagenicity, clastogenicity, or reproductive toxicity has been observed for similar compounds.
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| References | |
| Additional Infomation |
This compound is a solid with molecular formula C13H19NO2 and molecular weight 221.30. It is soluble in DMSO (9 mg/mL) with pH adjustment to 2 using HCl. The compound should be stored at -20degC as powder or at -80degC in solution, protected from light and moisture, and used exclusively for research applications.
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| Molecular Formula |
C13H19NO2
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|---|---|
| Molecular Weight |
221.30
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| Exact Mass |
221.142
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| CAS # |
1859-49-0
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| PubChem CID |
6994933
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| Appearance |
White to off-white solid powder
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| LogP |
2.666
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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 |
16
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| Complexity |
212
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| Defined Atom Stereocenter Count |
2
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| SMILES |
CC[C@H](C)[C@@H](C(=O)O)NCC1=CC=CC=C1
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| InChi Key |
GPAVORZIWQTJJQ-JQWIXIFHSA-N
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| InChi Code |
InChI=1S/C13H19NO2/c1-3-10(2)12(13(15)16)14-9-11-7-5-4-6-8-11/h4-8,10,12,14H,3,9H2,1-2H3,(H,15,16)/t10-,12-/m0/s1
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| Chemical Name |
(2S,3S)-2-(benzylamino)-3-methylpentanoic 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: 9.09 mg/mL (41.08 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.91 mg/mL (4.11 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 9.1 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. Solubility in Formulation 2: ≥ 0.91 mg/mL (4.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 9.1 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.5188 mL | 22.5938 mL | 45.1875 mL | |
| 5 mM | 0.9038 mL | 4.5188 mL | 9.0375 mL | |
| 10 mM | 0.4519 mL | 2.2594 mL | 4.5188 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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