| Targets |
Fmoc-NH-PEG3-CH2COOH does not have a biological target; it is a chemical linker for bioconjugation. The Fmoc group protects the amine during synthesis. The terminal carboxylic acid enables coupling to amine-containing molecules. The PEG3 spacer provides hydrophilicity, flexibility, and orthogonal reactivity handles for stepwise synthesis.
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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 is not applicable as this is a chemical linker. It is a PROTAC linker of the polyethylene glycol (PEG) category, utilized to prepare PROTAC protein degraders. It is also a cleavable ADC linker used in the synthesis of antibody-drug conjugates. |
| ln Vivo |
In vivo activity is not applicable as this is a chemical linker used for in vitro synthesis. It is not a therapeutic agent. Its applications are in the chemical synthesis of PROTACs and ADCs for targeted therapy. The PEG3 spacer provides good hydrophilicity and flexibility.
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| Enzyme Assay |
For non-cellular assays, Fmoc-NH-PEG3-CH2COOH is used in chemical conjugation reactions. The carboxylic acid group is activated with coupling reagents to form amide bonds with amines. The Fmoc group is removed with piperidine for subsequent reactions. Reaction progress is monitored by analytical techniques. The compound serves as a building block for PROTACs and ADCs.
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| Cell Assay |
In vitro cellular assays are not applicable as this compound is a chemical linker. It may be used to synthesize PROTACs or ADCs that are later tested in cellular assays for protein degradation or target cell killing, but the linker itself does not have direct cellular activity.
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| Animal Protocol |
In vivo animal experiments are not applicable as this compound is a chemical linker. It is used in the synthesis of PROTACs or ADCs that may be tested in animal models of disease. The PEG3 spacer influences the pharmacokinetic properties of the final conjugate.
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| ADME/Pharmacokinetics |
Fmoc-NH-PEG3-CH2COOH has a molecular weight of 429.47 and a molecular formula of C₂₃H₂₇NO₇. Purity is ≥98%. The compound is a pale yellow or colorless oily liquid and is typically stored at -20°C or 0-4°C. It is soluble in organic solvents.
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| Toxicity/Toxicokinetics |
Fmoc-NH-PEG3-CH2COOH is a chemical reagent and is not intended for therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. Specific toxicity data are limited as it is a research-grade chemical. Appropriate personal protective equipment should be used.
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| References | |
| Additional Infomation |
Fmoc-NH-PEG3-CH2COOH is a PEG linker used in PROTAC synthesis, ADC development, and peptide synthesis. The Fmoc group provides orthogonal protection for the amine. The PEG3 spacer provides good hydrophilicity and flexibility. The compound is available from various commercial suppliers for research applications.
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| Molecular Formula |
C23H27NO7
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|---|---|
| Molecular Weight |
429.4630
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| Exact Mass |
429.178
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| CAS # |
139338-72-0
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| PubChem CID |
57884360
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
651.1±65.0 °C at 760 mmHg
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| Melting Point |
46℃
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| Flash Point |
347.6±34.3 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
|
| Index of Refraction |
1.574
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| LogP |
2.75
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
31
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| Complexity |
536
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C(N([H])C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C(=O)O[H])=O)C([H])([H])C1([H])C2=C([H])C([H])=C([H])C([H])=C2C2=C([H])C([H])=C([H])C([H])=C12
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| InChi Key |
XNOJSAOJCBOZTA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H27NO7/c25-22(26)16-30-14-13-29-12-11-28-10-9-24-23(27)31-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21H,9-16H2,(H,24,27)(H,25,26)
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| Chemical Name |
2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]acetic acid
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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 | 2.3285 mL | 11.6425 mL | 23.2851 mL | |
| 5 mM | 0.4657 mL | 2.3285 mL | 4.6570 mL | |
| 10 mM | 0.2329 mL | 1.1643 mL | 2.3285 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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