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| Targets |
Propargyl-PEG5-acid is a heterobifunctional PEG linker used in the synthesis of ADCs and PROTACs. The propargyl group enables copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry with azide-containing molecules. The terminal carboxylic acid enables amide bond formation with amine-containing molecules. The PEG5 spacer provides a balance of properties between the more constrained PEG4 and more flexible PEG6 linkers.
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| ln Vitro |
An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
In vitro, Propargyl-PEG5-acid is used as a building block for the synthesis of ADCs and PROTACs. Its primary in vitro application is in bioconjugation chemistry, where it serves as a versatile linker to connect antibodies to cytotoxic payloads (ADCs) or target protein ligands to E3 ligase ligands (PROTACs). The PEG spacer enhances the solubility and stability of the resulting conjugates. |
| ln Vivo |
In vivo, Propargyl-PEG5-acid is not administered directly but is used to synthesize ADCs and PROTACs that are evaluated in animal models. The PEG spacer enhances the solubility, stability, and bioavailability of the resulting conjugates. The compound's role as a linker in ADC and PROTAC synthesis enables targeted drug delivery and protein degradation. Its utility has been validated in various preclinical studies.
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| Enzyme Assay |
In cell-free biochemical assays, Propargyl-PEG5-acid is characterized for its chemical properties and conjugation efficiency. Its purity (>95%) and molecular weight (304.34 g/mol) are determined using analytical techniques. Its reactivity with azide-containing molecules and amine-containing molecules is assessed. Its solubility in DCM, DMF, DMSO, and water is evaluated. Its stability under various storage conditions is assessed.
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| Cell Assay |
Cellular assays for Propargyl-PEG5-acid are evaluated indirectly through the biological activity of the ADCs or PROTACs synthesized using this linker. The resulting ADCs are tested for their ability to bind to target antigens and deliver cytotoxic payloads to cancer cells. The resulting PROTACs are tested for their ability to degrade target proteins.
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| Animal Protocol |
Animal models for Propargyl-PEG5-acid involve evaluating the ADCs or PROTACs synthesized using this linker in preclinical studies. The resulting conjugates are tested in tumor xenograft models or disease models relevant to the target. The PEG linker's effect on pharmacokinetics, biodistribution, and efficacy is assessed.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Propargyl-PEG5-acid are not typically reported, as the compound is a linker rather than a therapeutic agent. The compound has a molecular weight of 304.34 g/mol with a molecular formula of C14H24O7. The CAS number is 1245823-51-1. The compound appears as a pale yellow or colorless oily liquid. It has a density of 1.127 g/cm3. Standard handling procedures for PEG linkers apply.
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| Toxicity/Toxicokinetics |
The toxicity profile of Propargyl-PEG5-acid has not been extensively documented, as the compound is a linker rather than a pharmacologically active agent. The compound is supplied at >95% purity and is intended for research use only. Standard safety precautions for handling laboratory chemicals apply.
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| References |
[1]. Zhang H, et al. Thiodigalactoside-Bovine Serum Albumin Conjugates as High-Potency Inhibitors of Galectin-3: An Outstanding Example of Multivalent Presentation of Small Molecule Inhibitors. Bioconjug Chem. 2018 Apr 18;29(4):1266-1275.
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| Additional Infomation |
Propargyl-PEG5-acid is a heterobifunctional PEG linker used in the synthesis of ADCs and PROTACs. It contains a propargyl group and a terminal carboxylic acid. The compound has a molecular weight of 304.34 g/mol and formula C14H24O7. The CAS number is 1245823-51-1.
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| Molecular Formula |
C14H24O7
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| Molecular Weight |
304.336165428162
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| Exact Mass |
304.152
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| CAS # |
1245823-51-1
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| PubChem CID |
60146211
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| Appearance |
Colorless to light yellow liquid（Density：1.127±0.06 g/cm3）
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| LogP |
0.177
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
16
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| Heavy Atom Count |
21
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| Complexity |
284
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(CCOCCOCC#C)CCOCCOCCC(=O)O
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| InChi Key |
GWIACWQVTBMVEI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H24O7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h1H,3-13H2,(H,15,16)
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| Chemical Name |
3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic 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 Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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) |
DMSO : ~100 mg/mL (~328.58 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.21 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.21 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (8.21 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2858 mL | 16.4290 mL | 32.8580 mL | |
| 5 mM | 0.6572 mL | 3.2858 mL | 6.5716 mL | |
| 10 mM | 0.3286 mL | 1.6429 mL | 3.2858 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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