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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) |
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 | 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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