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| Other Sizes |
| Targets |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH functions as a PROTAC linker, a class of compounds that connect a target protein ligand to an E3 ubiquitin ligase ligand in PROTAC molecules. The compound itself does not have a specific pharmacological target; rather, it serves as a structural component in the design of bifunctional PROTAC molecules. The PEG (polyethylene glycol) spacer provides flexibility and solubility, while the Fmoc group enables protection during peptide synthesis. The terminal carboxylic acid allows for conjugation to amine-containing molecules.
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| ln Vitro |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH is not evaluated for traditional in vitro biological activity, as it is a chemical linker rather than a pharmacologically active compound. Its utility in research is based on its chemical properties as a PEG-like linker for PROTAC synthesis. The compound enables the construction of PROTAC molecules that can induce targeted protein degradation. No specific biological activity data such as IC₅₀ values or enzyme inhibition have been reported, as the compound itself is not intended to be biologically active.
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| ln Vivo |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH is not used for in vivo pharmacological evaluation, as it is a chemical linker for PROTAC synthesis rather than a therapeutic agent. The compound is used in the laboratory synthesis of PROTAC molecules, which are then evaluated for biological activity. The linker itself is not administered to animals for pharmacological assessment. Its role is limited to chemical synthesis and bioconjugation applications in research settings.
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| Enzyme Assay |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH is not evaluated in traditional enzyme/receptor binding assays, as it is a chemical linker rather than a pharmacologically active compound. The compound's purity and identity are confirmed by standard analytical methods including HPLC, NMR, and mass spectrometry. The Fmoc group can be detected by UV absorbance, and the PEG chain can be characterized by its characteristic NMR signals. The compound is stored at room temperature for up to 3 years.
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| Cell Assay |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH is not evaluated in traditional cellular assays, as it is a chemical linker for PROTAC synthesis rather than a biologically active compound. When incorporated into PROTAC molecules, the resulting bifunctional compounds are tested in cellular assays for their ability to induce targeted protein degradation. However, the linker itself is not tested in cellular systems. The compound is soluble in appropriate organic solvents for chemical synthesis applications.
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| Animal Protocol |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH is not used in in vivo animal experiments, as it is a chemical linker for PROTAC synthesis rather than a therapeutic agent. The compound is used in laboratory synthesis of PROTAC molecules, which may subsequently be evaluated in animal models. However, the linker itself is not administered to animals. Its applications are limited to chemical synthesis and bioconjugation research.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to FmocNH-PEG2-CH2CONH-PEG2-CH2COOH, as it is a chemical linker used in PROTAC synthesis rather than a therapeutic agent. The compound has a molecular weight of 530.57 g/mol and a molecular formula of C₂₇H₃₄N₂O₉. The PEG spacer contributes to water solubility, while the Fmoc group adds hydrophobicity. The compound is stored at room temperature for up to 3 years, and in solvent at -80°C for 2 years or at -20°C for 1 year.
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| Toxicity/Toxicokinetics |
The toxicological profile of FmocNH-PEG2-CH2CONH-PEG2-CH2COOH has not been extensively documented, as it is a chemical linker for PROTAC synthesis rather than a therapeutic agent. Standard laboratory safety precautions should be followed when handling this compound. As a PEG-containing compound, it is expected to have relatively low toxicity. However, comprehensive toxicological evaluations including acute toxicity, genotoxicity, and repeated-dose studies have not been reported.
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| References |
[1]. Kedika SR, et al. Converting a weaker ATP-binding site inhibitor into a potent hetero-bivalent ligand by tethering to a unique peptide sequence derived from the same kinase. Org Biomol Chem. 2018 Sep 11;16(35):6443-6449.
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| Additional Infomation |
FmocNH-PEG2-CH2CONH-PEG2-CH2COOH (CAS# 560088-89-3, molecular formula C₂₇H₃₄N₂O₉, molecular weight 530.57) is an optimized, extended PEG-like linker for PROTAC synthesis. Also known as 10-oxo-5,8,14,17-tetraoxa-2,11-diazanonadecanedioic acid 1-(9H-fluoren-9-ylmethyl base) ester. Target: PROTAC Linkers; Pathway: PROTAC. No clinical trials or regulatory approvals have been identified. Storage: room temperature for 3 years; in solvent at -80°C for 2 years or -20°C for 1 year.
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| Molecular Formula |
C27H34N2O9
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|---|---|
| Molecular Weight |
530.57
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| Exact Mass |
530.226
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| CAS # |
560088-89-3
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| PubChem CID |
51340574
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| Appearance |
Colorless to light yellow viscous liquid
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
757.6±70.0 °C at 760 mmHg
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| Flash Point |
412.0±35.7 °C
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| Vapour Pressure |
0.0±2.7 mmHg at 25°C
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| Index of Refraction |
1.573
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| LogP |
2.89
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
19
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| Heavy Atom Count |
38
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| Complexity |
701
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(NCCOCCOCC(NCCOCCOCC(=O)O)=O)=O)CC1C2C=CC=CC=2C2C=CC=CC1=2
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| InChi Key |
DYLGYEMUUDYFSV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C27H34N2O9/c30-25(28-9-11-34-14-16-37-19-26(31)32)18-36-15-13-35-12-10-29-27(33)38-17-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,28,30)(H,29,33)(H,31,32)
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| Chemical Name |
2-[2-[2-[[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetyl]amino]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 | 1.8848 mL | 9.4238 mL | 18.8477 mL | |
| 5 mM | 0.3770 mL | 1.8848 mL | 3.7695 mL | |
| 10 mM | 0.1885 mL | 0.9424 mL | 1.8848 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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