| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
The target of Fmoc-NH-PEG3-C2-NH2 is the ubiquitin-proteasome system. As a linker, it does not bind to a biological receptor directly. Instead, it joins two essential ligands: one that binds to a target protein and another that binds to an E3 ubiquitin ligase. The resulting PROTAC molecule induces ubiquitination and subsequent degradation of the target protein. The two amine groups allow for sequential conjugation of two different ligands.
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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].
In vitro activity of Fmoc-NH-PEG3-C2-NH2 is evaluated through its use in PROTAC synthesis. The linker is conjugated to a target protein ligand and an E3 ligase ligand, and the resulting PROTAC is tested in cell-based assays for its ability to degrade the target protein. The linker's length and hydrophilic nature are critical for achieving optimal degradation efficiency. The PEG3 spacer provides a balance between solubility and flexibility. |
| ln Vivo |
In vivo activity of PROTACs containing Fmoc-NH-PEG3-C2-NH2 is assessed in animal models. The linker's stability and pharmacokinetic properties are critical for in vivo efficacy. PROTAC molecules with this linker are administered to animals, and target protein levels in tissues are measured to assess degradation. The PEG chain enhances water solubility and circulation half-life.
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| Enzyme Assay |
For non-cellular assays, Fmoc-NH-PEG3-C2-NH2 is used to synthesize PROTAC molecules. The Fmoc group is removed with 20% piperidine in DMF to reveal the free amine, which is conjugated to an amine-reactive ligand. The terminal amine is reacted with an NHS ester-containing ligand. The reaction is monitored by HPLC. The resulting PROTAC is purified and characterized.
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| Cell Assay |
In vitro cell experiments with PROTACs containing Fmoc-NH-PEG3-C2-NH2 involve treating cells with the PROTAC and monitoring target protein levels by Western blotting. The PEG3 spacer is expected to provide adequate cell permeability. Functional assays are performed to assess the downstream effects of target protein degradation.
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| Animal Protocol |
In vivo animal experiments with PROTACs containing Fmoc-NH-PEG3-C2-NH2 typically use mouse models. The PROTAC is administered intravenously or intraperitoneally, and target protein levels in tissues are measured. The PEG3 chain is designed to enhance solubility and extend circulation time. Pharmacokinetic and toxicological parameters are evaluated.
|
| References |
| Molecular Formula |
C23H30N2O5
|
|---|---|
| Molecular Weight |
414.4947
|
| Exact Mass |
414.215
|
| CAS # |
906126-25-8
|
| PubChem CID |
11648095
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
1.7
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
14
|
| Heavy Atom Count |
30
|
| Complexity |
470
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCN
|
| InChi Key |
OCFJCJMJGCYMMZ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H30N2O5/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)
|
| Chemical Name |
9H-fluoren-9-ylmethyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
|
| Synonyms |
FmocNHPEG3C2NH2; Fmoc NH PEG3 C2 NH2
|
| 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 |
| 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) |
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 | 2.4126 mL | 12.0630 mL | 24.1260 mL | |
| 5 mM | 0.4825 mL | 2.4126 mL | 4.8252 mL | |
| 10 mM | 0.2413 mL | 1.2063 mL | 2.4126 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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