| Size | Price | Stock | Qty |
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| 250mg |
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| 500mg |
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| 1g |
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| Other Sizes |
| Targets |
As a PEG-based PROTAC linker, Fmoc-NH-PEG12-CH2CH2COOH does not have its own pharmacological targets. It serves to connect an E3 ubiquitin ligase ligand to a target protein ligand in PROTAC molecules. The PEG12 spacer provides an extended and flexible linkage between the two functional ends. The Fmoc-protected amine can be deprotected under basic conditions to allow conjugation to carboxylic acid-containing ligands, while the terminal carboxylic acid enables attachment to amine-containing molecules.
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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 data are not directly applicable to Fmoc-NH-PEG12-CH2CH2COOH as a linker. PROTACs synthesized using this linker have demonstrated in vitro activity by inducing degradation of specific target proteins via the ubiquitin-proteasome system. The long PEG12 spacer provides extended length for bridging larger distances between the E3 ligase and the target protein. The linker itself does not exhibit direct biological activity; its role is purely structural. |
| ln Vivo |
In vivo activity is not applicable to this linker itself. The in vivo efficacy of PROTACs incorporating Fmoc-NH-PEG12-CH2CH2COOH depends on the specific target protein and E3 ligase ligands. The long PEG12 spacer contributes to the overall solubility and pharmacokinetic properties of the final PROTAC molecule. In vivo studies evaluate the ability of the final PROTAC to degrade target proteins and produce therapeutic effects in animal models.
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| Enzyme Assay |
Non-cellular assay protocols for Fmoc-NH-PEG12-CH2CH2COOH involve standard chemical characterization. Purity is confirmed by HPLC, and structure by NMR and mass spectrometry. The Fmoc group can be quantified by UV absorption at 265 nm or 301 nm. The carboxylic acid can be quantified by titration or derivatization. For final PROTACs, binding affinity studies can be performed using SPR or ITC.
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| Cell Assay |
Cellular assay protocols for PROTACs using Fmoc-NH-PEG12-CH2CH2COOH involve treating cultured cells with the synthesized PROTAC compound. Typical treatments last 4-48 hours at concentrations ranging from nanomolar to micromolar. Target protein degradation is assessed by western blot. Dose-response curves determine DC50 values. Cell viability assays evaluate cytotoxicity. Co-treatment with proteasome inhibitors confirms degradation occurs via the ubiquitin-proteasome pathway.
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| Animal Protocol |
In vivo animal experiment protocols for PROTACs incorporating Fmoc-NH-PEG12-CH2CH2COOH typically use rodent models. The compound is administered via oral gavage, intravenous, or intraperitoneal injection at doses determined from PK studies. Tumor xenograft models are used for efficacy evaluation. Tissue samples are collected at various time points to measure compound concentrations and target protein levels. Pharmacodynamic biomarkers are assessed to confirm target engagement and degradation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Fmoc-NH-PEG12-CH2CH2COOH itself are not characterized. The PEG moiety generally improves aqueous solubility and reduces immunogenicity. For PROTACs containing this linker, PK studies assess parameters including half-life (t½), clearance (CL), and oral bioavailability. The long PEG12 chain provides significant hydrophilicity and may extend circulation time. The compound is stored as a powder and is soluble in DMSO and other organic solvents.
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| Toxicity/Toxicokinetics |
Toxicity of Fmoc-NH-PEG12-CH2CH2COOH as a standalone compound has not been extensively studied. PEG-based linkers are generally considered biocompatible and low in toxicity. The Fmoc group is a common protecting group in peptide synthesis. Final PROTAC molecules require full toxicological evaluation including acute and sub-chronic toxicity studies, genotoxicity testing, and cardiovascular safety assessments.
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| References |
[1]. An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
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| Additional Infomation |
Fmoc-NH-PEG12-CH2CH2COOH (CAS: 1952360-91-6) has a molecular formula of C42H65NO16 and a molecular weight of 839.96 g/mol. It is also known as (Fmoc-amino)-PEG12-C2-Carboxylic Acid. It is a PEG-based PROTAC linker. The Fmoc group is base-labile and can be deprotected for subsequent conjugation. The carboxylic acid enables amide bond formation with amines. This product is for research use only and not for human therapeutic applications.
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| Molecular Formula |
C₄₂H₆₅NO₁₆
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|---|---|
| Molecular Weight |
839.96
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| Exact Mass |
839.43
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| CAS # |
1952360-91-6
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| PubChem CID |
11354871
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| Appearance |
Light yellow to light brown liquid（Density：1.175±0.06 g/cm3）
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| LogP |
0.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
42
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| Heavy Atom Count |
59
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| Complexity |
976
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
JYNHRDJTWNEGJE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C42H65NO16/c44-41(45)9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-43-42(46)59-35-40-38-7-3-1-5-36(38)37-6-2-4-8-39(37)40/h1-8,40H,9-35H2,(H,43,46)(H,44,45)
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| Chemical Name |
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
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| Synonyms |
FmocNHPEG12CH2CH2COOH; Fmoc NH PEG12 CH2CH2COOH
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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 | 1.1905 mL | 5.9527 mL | 11.9053 mL | |
| 5 mM | 0.2381 mL | 1.1905 mL | 2.3811 mL | |
| 10 mM | 0.1191 mL | 0.5953 mL | 1.1905 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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