| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Boc-N-methyl-L-isoleucine does not have a defined biological target. Its purpose is as a synthetic intermediate for more complex molecules. The N-methylation and Boc protection are crucial for directing the stereochemistry and reactivity of the isoleucine residue during peptide synthesis. The biological activity resides in the final peptide or drug molecule, not in this building block.
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|---|---|
| ln Vitro |
Specific in vitro activity data are not applicable for Boc-N-methyl-L-isoleucine as it is not a pharmacologically active compound. Its utility is demonstrated in its use as a precursor for the synthesis of bioactive peptides.
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| ln Vivo |
In vivo activity data are not available for Boc-N-methyl-L-isoleucine as it is not a drug candidate. It is a chemical intermediate used in research and development.
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| Enzyme Assay |
Cell-free assays are not applicable for Boc-N-methyl-L-isoleucine as it is not an enzyme inhibitor. Its primary use is as a chemical building block. Purity is typically confirmed by HPLC and other analytical methods.
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| Cell Assay |
Cellular experiments are not conducted with Boc-N-methyl-L-isoleucine as it is not a pharmacologically active compound. It is used in chemical synthesis, not in cell-based assays.
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| Animal Protocol |
In vivo animal experiments are not applicable for Boc-N-methyl-L-isoleucine as it is not a therapeutic agent.
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| ADME/Pharmacokinetics |
Boc-N-methyl-L-isoleucine has a molecular formula of C12H23NO4 and a molecular weight of 245.32 g/mol. It is a solid. For storage, the powder should be kept at -20°C for up to 3 years or at 4°C for up to 2 years.
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| Toxicity/Toxicokinetics |
Specific toxicity data for Boc-N-methyl-L-isoleucine are not provided in the available sources. As a chemical intermediate, it should be handled with appropriate safety precautions. It is intended for research use only and not for human consumption.
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| Additional Infomation |
Boc-N-methyl-L-isoleucine (CAS: 52498-32-5) is a protected amino acid building block. Its synonyms include Boc-N-Me-Ile-OH. The compound is used as a precursor in organic synthesis and pharmaceutical research, particularly in the synthesis of N-methylated peptides, which often exhibit improved metabolic stability and bioavailability.
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| Molecular Formula |
C12H23NO4
|
|---|---|
| Molecular Weight |
245.31532
|
| Exact Mass |
245.162
|
| CAS # |
52498-32-5
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| PubChem CID |
7017970
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| Appearance |
White to off-white solid powder
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
338.2±21.0 °C at 760 mmHg
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| Flash Point |
158.3±22.1 °C
|
| Vapour Pressure |
0.0±1.6 mmHg at 25°C
|
| Index of Refraction |
1.467
|
| LogP |
3
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
17
|
| Complexity |
283
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC[C@H](C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
|
| InChi Key |
HTBIAUMDQYXOFG-IUCAKERBSA-N
|
| InChi Code |
InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8-,9-/m0/s1
|
| Chemical Name |
(2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]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) |
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 | 4.0763 mL | 20.3815 mL | 40.7631 mL | |
| 5 mM | 0.8153 mL | 4.0763 mL | 8.1526 mL | |
| 10 mM | 0.4076 mL | 2.0382 mL | 4.0763 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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