| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
No specific biological target. This compound is a synthetic chemical linker; it does not bind to any enzyme or receptor. Its purpose is to covalently connect a target protein ligand (e.g., a kinase inhibitor) to an E3 ubiquitin ligase ligand (e.g., thalidomide analog) in a PROTAC molecule, or to link a payload to an antibody in an ADC. The PEG3 spacer reduces steric hindrance and enhances solubility.
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| ln Vitro |
Not applicable. The linker itself has no intrinsic biological activity. The aniline group can be used to form a stable secondary amine bond with an aldehyde-containing molecule via reductive amination using sodium triacetoxyborohydride. The Boc group is acid-labile (removed by TFA) to reveal a free primary amine for amide coupling or other reactions. The PEG3 chain provides hydrophilicity and conformational flexibility.
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| ln Vivo |
Not applicable; the linker is not intended for in vivo administration as a standalone compound. When incorporated into a PROTAC or ADC, the final conjugate's in vivo activity (e.g., tumor growth inhibition) can be tested in mouse xenograft models. The PEG3 linker length is optimized to enable the formation of a ternary complex between the target protein, the PROTAC, and the E3 ligase, leading to efficient ubiquitination and degradation of the target protein.
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| Enzyme Assay |
Not applicable, as Aniline-PEG3-C1-Boc is a chemical reagent, not a biological test compound. Its purity and structure are verified by standard analytical methods: 1H NMR and 13C NMR (to confirm the aniline protons at delta 6.5-7.2 ppm, PEG3 methylene protons at delta 3.5-3.7 ppm, and Boc tert-butyl group at delta 1.4 ppm), high-resolution mass spectrometry (HRMS) to confirm molecular weight, and HPLC (reverse-phase C18 column, UV detection at 254 nm) to determine purity (>95%).
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| Cell Assay |
No direct cell-based assays for the linker. To assess the functionality of the linker in a PROTAC context, researchers first conjugate the linker to both a target protein ligand and an E3 ligase ligand. The resulting PROTAC is then added to cells (e.g., HEK293T or HeLa) at concentrations ranging from 0.1 nM to 10 uM for 4-24 h. The degradation of the target protein is measured by Western blot, and the DC50 (concentration for 50% degradation) is calculated.
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| Animal Protocol |
Not applicable for the linker alone. For in vivo efficacy studies of a PROTAC containing this linker, tumor-bearing mice (e.g., xenograft model) are administered the PROTAC via intravenous injection or oral gavage (e.g., 10-100 mg/kg, once daily or every other day) for 2-4 weeks. Tumor volumes are measured by calipers, and at study termination, tumors are excised for Western blot analysis to confirm target protein degradation.
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| ADME/Pharmacokinetics |
Not applicable. The linker itself is not a drug. When incorporated into a PROTAC, the pharmacokinetic properties (oral bioavailability, half-life, clearance) are determined by the overall molecular weight, lipophilicity, and polarity of the final conjugate. The PEG3 linker generally improves aqueous solubility and reduces plasma protein binding compared to more lipophilic alkyl linkers.
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| Toxicity/Toxicokinetics |
No toxicity data for the linker itself. The PEG3 moiety is considered biocompatible and non-toxic. Aniline and Boc groups are typical in organic synthesis but are not intended for human consumption. Standard laboratory safety precautions (gloves, lab coat, fume hood) should be used when handling this chemical. It may cause skin and eye irritation.
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| References | |
| Additional Infomation |
Aniline-PEG3-C1-Boc is a research-grade PROTAC linker, not a drug. It has no FDA approval. This type of linker is widely used in the synthesis of PROTACs, a novel class of heterobifunctional molecules that induce targeted protein degradation. The PEG3 spacer provides optimal length and flexibility for many protein degradation applications. Boc-protected amines are common building blocks for peptide and PROTAC synthesis.
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| Molecular Formula |
C18H29NO6
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|---|---|
| Molecular Weight |
355.43
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| CAS # |
2115897-27-1
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| Appearance |
Liquid
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| Density |
1.111±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
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| Boiling Point |
477.5±40.0 °C(predicted)
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| LogP |
0
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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 : ~350 mg/mL (~984.72 mM; with ultrasonication)
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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 | 2.8135 mL | 14.0675 mL | 28.1349 mL | |
| 5 mM | 0.5627 mL | 2.8135 mL | 5.6270 mL | |
| 10 mM | 0.2813 mL | 1.4067 mL | 2.8135 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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