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| Other Sizes |
| Targets |
As a protected amino acid building block, N-BOC-DL-serine methyl ester does not have a direct biological target. Its utility lies in its role as a synthetic intermediate for the preparation of peptides and peptide-based compounds. The Boc protecting group protects the amino group during peptide synthesis, and the methyl ester protects the carboxylic acid. The compound is a serine analogue used in the synthesis of α,β-dehydro-α-amino acids and anti-cancer compounds.
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| ln Vitro |
As a synthetic building block, N-BOC-DL-serine methyl ester does not have direct in vitro biological activity. Its value is in peptide synthesis and medicinal chemistry. The compound's in vitro activity would be evaluated indirectly through the biological activity of compounds synthesized using it, such as PI3K inhibitors and protein kinase inhibitors. The compound itself is not tested in biological assays but is used as a reagent in chemical synthesis.
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| ln Vivo |
As a synthetic building block, N-BOC-DL-serine methyl ester does not have in vivo biological activity. Its value is in peptide synthesis and medicinal chemistry. The compound is not intended for administration to animals or humans. Its biological relevance is indirect, through the compounds that are synthesized using it. The compound itself is a chemical reagent used in research and development.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not applicable to N-BOC-DL-serine methyl ester as it is a synthetic building block with no direct biological activity. The compound is characterized by chemical analysis methods such as HPLC for purity assessment, NMR for structural confirmation, and mass spectrometry. Its physicochemical properties, including molecular weight and molecular formula, are determined by standard chemical characterization techniques.
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| Cell Assay |
Cell culture experiments are not applicable to N-BOC-DL-serine methyl ester as it is a synthetic building block with no direct biological activity. The compound is used in chemical synthesis and is not intended for cell-based assays. Researchers using this compound should focus on its chemical properties and synthetic applications rather than cell-based studies. The compound should be handled with appropriate safety precautions as a chemical reagent.
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| Animal Protocol |
In vivo animal experiments are not applicable to N-BOC-DL-serine methyl ester as it is a synthetic building block rather than a therapeutic agent. The compound is not intended for administration to animals. Its biological relevance is indirect, through the compounds that are synthesized using it. The compound itself is a chemical reagent used in research and development. Researchers should not attempt in vivo administration of this compound.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to N-BOC-DL-serine methyl ester as it is a synthetic building block rather than a therapeutic agent. The compound is not intended for administration to animals or humans. Its physicochemical properties include molecular weight and molecular formula. The compound is a liquid or solid depending on conditions. Storage: appropriately. These properties are relevant for chemical synthesis rather than pharmacokinetics.
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| Toxicity/Toxicokinetics |
No comprehensive toxicology data are available for N-BOC-DL-serine methyl ester as it is a synthetic building block rather than a therapeutic agent. The compound is not intended for human use, and comprehensive toxicology studies have not been conducted. The compound should be handled with appropriate safety precautions as a chemical reagent. The compound is for research use only and is not for human use.
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| Additional Infomation |
N-BOC-DL-serine methyl ester has CAS number 69942-12-7. It is a serine analogue and protected amino acid derivative used in peptide synthesis. It is used for the synthesis of α,β-dehydro-α-amino acids and anti-cancer compounds including PI3K inhibitors and protein kinase inhibitors. The methyl ester enhances solubility and stability. Purity: typically ≥95%. Not for human use; for research purposes only.
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| Molecular Formula |
C9H17NO5
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|---|---|
| Molecular Weight |
219.2350
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| Exact Mass |
219.11
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| CAS # |
69942-12-7
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| PubChem CID |
495564
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| Appearance |
Colorless to off-white Solid-Liquid Mixture
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
354.3±32.0 °C at 760 mmHg
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| Flash Point |
168.1±25.1 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.461
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| LogP |
0.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
15
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| Complexity |
233
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(N([H])C([H])(C(=O)OC([H])([H])[H])C([H])([H])O[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
SANNKFASHWONFD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)
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| Chemical Name |
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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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 | 4.5612 mL | 22.8061 mL | 45.6121 mL | |
| 5 mM | 0.9122 mL | 4.5612 mL | 9.1224 mL | |
| 10 mM | 0.4561 mL | 2.2806 mL | 4.5612 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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