| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
PEGs
FmocNH-PEG3-CH2CH2NH2 hydrochloride targets the chemical conjugation process in solid-phase and solution-phase peptide synthesis. The Fmoc protecting group specifically targets the amine group, allowing temporary protection during multi-step synthesis. The PEG3 chain targets improved aqueous solubility for the final PROTAC molecule. In PROTAC applications, the linker facilitates the conjugation of E3 ligase ligands to protein-targeting ligands. The terminal amine serves as a conjugation handle for carboxylate-containing ligands via amide bond formation. |
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| 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].
FmocNH-PEG3-CH2CH2NH2 hydrochloride itself does not possess biological activity. Its in vitro utility is demonstrated through the successful construction of PROTACs incorporating this linker. PROTACs assembled with PEG3 linkers have shown optimal degradation efficiency (DC50 in the 1-50 nM range) due to the intermediate length (approximately 12-15 Angstrom). This PEG3 linker balances flexibility and rigidity, allowing proper ternary complex formation between the target protein, PROTAC, and E3 ligase without excessive entropy penalty. The compound shows no direct cytotoxicity at concentrations up to 50 uM. |
| ln Vivo |
In vivo, PROTACs assembled using FmocNH-PEG3-CH2CH2NH2 hydrochloride have demonstrated efficacy in mouse models of cancer and inflammatory diseases. For example, PEG3-based PROTACs show improved pharmacokinetic properties compared to alkyl linkers of equivalent length, including reduced plasma protein binding and decreased clearance. Oral bioavailability of PEG3-containing PROTACs typically ranges from 10-30% in rats. Tumor growth inhibition of >50% has been reported in xenograft models at doses of 30-50 mg/kg. The PEG3 linker does not induce immunogenicity.
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| Enzyme Assay |
A standard solid-phase peptide synthesis (SPPS) coupling reaction uses this linker: The FmocNH-PEG3-CH2CH2NH2 hydrochloride (1.5 equiv) is dissolved in DMF with HBTU (1.5 equiv), HOBt (1.5 equiv), and DIPEA (3 equiv). This solution is added to a resin-bound carboxylic acid. The reaction is shaken for 2-4 hours at room temperature. After washing, Fmoc deprotection is performed with 20% piperidine in DMF (2 x 5 min, 1 x 15 min). Deprotection is confirmed by a ninhydrin test. The free amine is then available for further coupling reactions.
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| Cell Assay |
No direct cellular assays are performed on this linker alone. For PROTAC validation, cells (e.g., 293T, HeLa) are treated with the complete PROTAC (0.1-1000 nM, 24-48 hours) assembled using this linker. Cell lysates are analyzed by Western blot to determine target protein degradation. A control experiment with the linker alone (10 uM, 24 hours) demonstrates no degradation activity, confirming that degradation requires the full PROTAC construct. Cell viability is measured by MTT or CellTiter-Glo assays to rule out non-specific cytotoxicity of the PROTAC.
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| Animal Protocol |
In an in vivo PK study, the linker is incorporated into a PROTAC and then administered to SD rats (n=3 per time point). The PROTAC (10 mg/kg) is formulated in 10% DMSO/10% Solutol/80% saline. Blood samples are collected at 0.083, 0.25, 0.5, 1, 2, 4, 6, 8, 12, and 24 hours post-dose. Plasma concentrations are measured by LC-MS/MS. PK parameters (Cmax, Tmax, AUC0-t, t1/2, CL, Vd) are calculated using non-compartmental analysis. The PEG3 linker contributes to moderate plasma half-life (1-4 hours) and acceptable bioavailability.
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| ADME/Pharmacokinetics |
As a linker, the pharmacokinetics of FmocNH-PEG3-CH2CH2NH2 hydrochloride are not independently characterized. The PEG3 moiety (3 ethylene glycol units) increases hydrophilicity and reduces non-specific protein binding. The Fmoc group is stable at physiological pH but is rapidly cleaved in the presence of primary and secondary amines. The hydrochloride salt improves aqueous solubility. In complete PROTAC molecules, the PEG3 linker contributes to reduced aggregation and improved plasma stability. PEG3-containing PROTACs typically have molecular weights between 700-1200 Da and moderate oral absorption (F% = 10-30%).
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| Toxicity/Toxicokinetics |
FmocNH-PEG3-CH2CH2NH2 hydrochloride is a laboratory chemical with low acute toxicity. The compound may cause mild skin, eye, and respiratory tract irritation upon direct contact. The hydrochloride form is hygroscopic and should be stored in a sealed container. No mutagenicity or reproductive toxicity data are available for this specific linker, but PEG-based linkers are generally considered safe for research use. Standard chemical handling precautions (gloves, safety goggles, lab coat) should be followed. Avoid inhalation of dust. Store at -20degC for long-term stability.
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| References | |
| Additional Infomation |
FmocNH-PEG3-CH2CH2NH2 hydrochloride (CAS: 906079-91-2) is a PEG-based PROTAC linker with ≥98% purity. It is supplied as a solid powder and is soluble in DMSO, DMF, and dichloromethane. The compound is classified as a PROTAC linker and is widely used in chemical biology and drug discovery. The Fmoc protecting group is stable under acidic conditions and is removed under basic conditions (e.g., piperidine in DMF). The PEG3 chain provides a balance between solubility and optimal linker length (approximately 12-15 Angstrom) for PROTAC applications. Research use only; not for human therapeutic use.
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| Molecular Formula |
C23H31CLN2O5
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| Molecular Weight |
450.96
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| Exact Mass |
450.192
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| CAS # |
906079-91-2
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| PubChem CID |
11648094
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
31
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| Complexity |
470
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCN.Cl
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| InChi Key |
SEZIMCXPIBEZBJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H30N2O5.ClH/c24-9-11-27-13-15-29-16-14-28-12-10-25-23(26)30-17-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;/h1-8,22H,9-17,24H2,(H,25,26);1H
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| Chemical Name |
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate;hydrochloride
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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) |
H2O :~125 mg/mL (~277.19 mM)
DMSO :~125 mg/mL (~277.19 mM) |
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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 | 2.2175 mL | 11.0875 mL | 22.1749 mL | |
| 5 mM | 0.4435 mL | 2.2175 mL | 4.4350 mL | |
| 10 mM | 0.2217 mL | 1.1087 mL | 2.2175 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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