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| Other Sizes |
| Targets |
It does not have a biological target in the traditional sense. It is a chemical linker used for bioconjugation. The Boc-protected amine provides a handle for conjugation after deprotection. The bromide group can undergo nucleophilic substitution with thiols, amines, or other nucleophiles. The PEG spacer provides solubility and flexibility to the conjugated molecules. This linker is used in PROTAC and ADC synthesis.
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|---|---|
| ln Vitro |
Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system. An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
N-Boc-PEG1-bromide does not exhibit pharmacological activity. Its utility is in the synthesis of complex bioconjugates such as PROTACs and ADCs. The PEG spacer improves aqueous solubility and reduces aggregation of the final conjugate. The bromide group enables versatile conjugation chemistry. The Boc protecting group allows selective deprotection for further functionalization. |
| ln Vivo |
In vivo data are not applicable for N-Boc-PEG1-bromide as a standalone compound. Its in vivo behavior is determined by the final conjugate in which it is incorporated. The PEG linker can improve the solubility, stability, and pharmacokinetic properties of the conjugate. In vivo studies are conducted on the complete conjugate rather than the linker alone.
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| Enzyme Assay |
N-Boc-PEG1-bromide is used as a building block in chemical synthesis. Typical protocols involve nucleophilic substitution reactions with thiols or amines. The compound is dissolved in anhydrous organic solvents (e.g., DMF or DCM) and reacted with the nucleophile in the presence of a base (e.g., K₂CO₃ or TEA) at room temperature or elevated temperature for 2-24 hours. The Boc group can be removed by TFA in DCM. The product is purified by column chromatography or preparative HPLC. Reaction progress is monitored by TLC or LC-MS.
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| Cell Assay |
Cell-based studies are not applicable for N-Boc-PEG1-bromide as a standalone compound. It is used as an intermediate in the synthesis of bioactive conjugates. The final conjugate is tested in relevant cell lines. The linker itself is not expected to exhibit cellular activity. All treatments include vehicle controls and are performed in triplicate.
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| Animal Protocol |
Animal studies are not applicable for N-Boc-PEG1-bromide as a standalone compound. In vivo studies are conducted on the complete conjugate incorporating the linker. Animal models are used to assess efficacy, pharmacokinetics, and toxicity of the conjugate. All procedures follow institutional animal care guidelines.
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| ADME/Pharmacokinetics |
N-Boc-PEG1-bromide (MW 268.14, C₉H₁₈BrNO₃) is a PEG-based linker. The compound is typically stored at -20°C. It is for research purposes. The Boc protecting group is acid-labile. The bromide group is reactive toward nucleophiles. Detailed physicochemical properties are available from chemical suppliers.
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| Toxicity/Toxicokinetics |
N-Boc-PEG1-bromide is a chemical reagent and should be handled with standard laboratory safety precautions. The compound is for research use only and not intended for human therapeutic applications. Standard safety precautions for chemical handling apply.
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| References | |
| Additional Infomation |
N-Boc-PEG1-bromide is a research-grade PEG linker for bioconjugation applications. Its primary applications include PROTAC synthesis, ADC synthesis, and drug delivery research. The compound is not a drug and has no clinical applications. It is commercially available from various chemical suppliers for research purposes only. Its use involves PEG-based linking of bioactive molecules.
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| Molecular Formula |
C9H18BRNO3
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|---|---|
| Molecular Weight |
268.1481
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| Exact Mass |
267.047
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| CAS # |
164332-88-1
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| PubChem CID |
22712752
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| Appearance |
Colorless to light yellow liquid
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| LogP |
2.313
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
14
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| Complexity |
168
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| Defined Atom Stereocenter Count |
0
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| SMILES |
BrC([H])([H])C([H])([H])OC([H])([H])C([H])([H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
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| InChi Key |
DMOPZPBTLCZSGL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C9H18BrNO3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7H2,1-3H3,(H,11,12)
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| Chemical Name |
tert-butyl N-[2-(2-bromoethoxy)ethyl]carbamate
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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 (~372.9 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.32 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (9.32 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 2.5 mg/mL (9.32 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.7293 mL | 18.6463 mL | 37.2926 mL | |
| 5 mM | 0.7459 mL | 3.7293 mL | 7.4585 mL | |
| 10 mM | 0.3729 mL | 1.8646 mL | 3.7293 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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