| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Alkyl/ether
PROTAC Linkers. |
|---|---|
| ln Vitro |
One ligand is for an E3 ubiquitin ligase, and the other is for the target protein; these two ligands are joined by a linker to form PROTACs. The intracellular ubiquitin-proteasome system is utilized by PROTACs to specifically destroy target proteins[1].
As a linker molecule, Boc-C2-NH2 itself has no intrinsic biological activity; it serves as a structural connector to join a target protein ligand and an E3 ubiquitin ligase ligand in PROTAC synthesis. The Boc-protected amine can be deprotected under acidic conditions to reveal a primary amine for further conjugation. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its activity is derived from the final PROTAC molecule after conjugation with appropriate ligands. The in vivo efficacy of a complete PROTAC is determined in animal models.
|
| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays. As a synthetic intermediate, its quality is typically confirmed by analytical methods such as HPLC and NMR, with a standard purity of ≥95%.
|
| Cell Assay |
N/A; this linker is not tested alone in cell-based assays. It is used as a building block for constructing PROTACs. In a typical synthesis, the Boc group is removed using TFA, and the resulting free amine is coupled to a carboxylic acid-containing ligand using EDC and NHS.
|
| Animal Protocol |
N/A; no animal studies are performed with the linker alone. For a complete PROTAC conjugate, in vivo studies are conducted to evaluate its pharmacokinetic properties and efficacy. The compound is typically formulated using a vehicle containing DMSO, PEG300, Tween-80, and saline.
|
| ADME/Pharmacokinetics |
This compound has a molecular weight of 145.20, a molecular formula of C7H15NO2, and is typically stored as a powder at 4degC, protected from light. In a solvent, it can be stored at -80degC for 6 months or at -20degC for 1 month, protected from light. It is soluble in DMSO.
|
| Toxicity/Toxicokinetics |
This product is for research and manufacturing use only and is not for human or clinical use. Standard chemical safety precautions should be followed during handling. The product should be protected from light during storage.
|
| References | |
| Additional Infomation |
This short, two-carbon alkyl linker is one of the simplest PROTAC building blocks available. It is particularly useful for constructing small, conformationally constrained PROTACs where a longer spacer might be undesirable. The Boc-protected amine provides a versatile handle for controlled conjugation to various ligands.
|
| Molecular Formula |
C7H15NO2
|
|---|---|
| Molecular Weight |
145.20
|
| Exact Mass |
145.11
|
| CAS # |
15231-41-1
|
| PubChem CID |
4192171
|
| Appearance |
Colorless to light yellow liquid
|
| Boiling Point |
192.3°C
|
| LogP |
1.377
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
10
|
| Complexity |
115
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)OC(=O)CCN
|
| InChi Key |
ZJXHVYSDMUKUCA-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
|
| Chemical Name |
tert-butyl 3-aminopropanoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO :≥ 100 mg/mL (~688.71 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (17.22 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 (17.22 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 (17.22 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 | 6.8871 mL | 34.4353 mL | 68.8705 mL | |
| 5 mM | 1.3774 mL | 6.8871 mL | 13.7741 mL | |
| 10 mM | 0.6887 mL | 3.4435 mL | 6.8871 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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