| Size | Price | Stock | Qty |
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| 100mg |
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| 250mg |
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| 500mg |
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| Other Sizes |
| Targets |
As a protected amino acid building block, Boc-beta-t-butyl-d-alanine 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. When incorporated into peptides, the β-t-butyl-D-alanine residue can influence peptide conformation, stability, and biological activity. The bulky t-butyl group introduces steric hindrance that can restrict peptide flexibility and modulate receptor binding. The Boc protecting group protects the amino group during peptide synthesis.
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| ln Vitro |
As a synthetic building block, Boc-beta-t-butyl-d-alanine 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 peptides or compounds containing the β-t-butyl-D-alanine residue. Researchers use this building block to incorporate non-natural amino acids into peptides to modulate their properties. 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, Boc-beta-t-butyl-d-alanine 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 peptides or 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 Boc-beta-t-butyl-d-alanine 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 245.32 and molecular formula C12H23NO4, are determined by standard chemical characterization techniques.
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| Cell Assay |
Cell culture experiments are not applicable to Boc-beta-t-butyl-d-alanine 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 Boc-beta-t-butyl-d-alanine 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 peptides or 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 Boc-beta-t-butyl-d-alanine 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 245.32 and molecular formula C12H23NO4. The compound is a solid and should be stored appropriately. These properties are relevant for chemical synthesis rather than pharmacokinetics.
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| Toxicity/Toxicokinetics |
No comprehensive toxicology data are available for Boc-beta-t-butyl-d-alanine 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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| References | |
| Additional Infomation |
Boc-beta-t-butyl-d-alanine has CAS number 112695-98-4, molecular formula C12H23NO4, and molecular weight 245.32. It is an intermediate used in the preparation and synthesis of amino acids and peptides. It is a modified form of D-alanine where the amino group is protected by a Boc group with a t-butyl group at the β-position. Purity: ≥98%. Not for human use; for research purposes only.
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| Molecular Formula |
C12H23NO4
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|---|---|
| Molecular Weight |
245.3153
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| Exact Mass |
245.163
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| CAS # |
112695-98-4
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| PubChem CID |
7021114
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| Appearance |
White to off-white solid powder
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| Density |
1.048±0.06 g/cm3 (20 ºC 760 Torr)
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| LogP |
2.791
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
17
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| Complexity |
286
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| Defined Atom Stereocenter Count |
1
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| SMILES |
O(C(N([H])[C@@]([H])(C(=O)O[H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
PUQVQDMFCAGQQB-MRVPVSSYSA-N
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| InChi Code |
InChI=1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1
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| Chemical Name |
(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]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 (~407.63 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (10.19 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
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 (10.19 mM) 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; with ultrasonication. 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 (10.19 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| 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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