| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
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| Other Sizes |
| Targets |
Propargyl-PEG8-acid does not have a specific biological target, as it is a chemical linker. Its function is to serve as a covalent connector between molecular components. The propargyl group is a target for click chemistry, reacting with azide-containing molecules to form a stable triazole linkage. The carboxylic acid is a target for conjugation with primary amines to form amide bonds. The hydrophilic PEG8 spacer enhances solubility and reduces steric hindrance. The cleavable nature of the linker allows for the controlled release of a payload, for example, in the context of ADCs used against Gram-negative bacteria.
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| ln Vitro |
Two distinct ligands, one for the E3 ubiquitin ligase and the other for the target protein, are present in PROTAC and are joined by a linker. PROTAC targets and selectively degrades target proteins by means of the intracellular ubiquitin-proteasome system. An ADC cytotoxin is connected to an antibody by use of an ADC linker to form an ADC.
Propargyl-PEG8-acid, as a linker, does not possess any direct in vitro biological activity. Its function is to enable the synthesis of bioactive conjugates. The in vitro activity of this linker is assessed indirectly through the characterization of the final conjugates it helps to create. For instance, when used to synthesize an ADC, the activity of the conjugate is evaluated in cell-based assays for target binding, internalization, and cytotoxicity. The PEG8 linker contributes to the conjugate's overall activity by enhancing its solubility and providing the necessary spacing. |
| ln Vivo |
Propargyl-PEG8-acid is not intended for in vivo use as a standalone compound. Its relevance in vivo is as a component of larger conjugates, such as ADCs or PROTACs. In these contexts, the hydrophilic PEG8 spacer contributes to the overall pharmacokinetic profile of the conjugate by improving solubility and reducing aggregation. However, the specific in vivo activity is determined by the conjugate's warhead and targeting ligand, not the linker itself. The linker's role is to stably connect the functional components.
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| Enzyme Assay |
There are no specific in vitro enzyme or receptor binding assays for Propargyl-PEG8-acid, as it is a chemical reagent. Its characterization is performed using analytical chemistry techniques such as NMR, HPLC, and MS to verify its structure and purity. The functionality of the propargyl group can be confirmed by reacting it with an azide-containing compound and monitoring the formation of the triazole linkage. The reactivity of the carboxylic acid can be tested by reacting it with a model amine. These are quality control steps, not biological assays.
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| Cell Assay |
There are no standard in vitro cell-based assays for Propargyl-PEG8-acid itself, as it is not a bioactive molecule. Its use in cell biology is indirect, as a reagent for constructing bioconjugates. For example, when used to create an ADC, the ADC's ability to kill cancer cells would be evaluated in cell-based assays. The linker's role is to ensure the ADC is functional and stable. However, there is no direct assay for the linker in cells.
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| Animal Protocol |
Propargyl-PEG8-acid is not used in in vivo animal experiments as a standalone compound. It is a synthetic building block for creating bioconjugates such as ADCs or PROTACs. Animal studies would be conducted on the final, larger conjugates that incorporate this linker. In such studies, the linker's contribution to the overall pharmacokinetic and pharmacodynamic profile of the conjugate might be assessed by comparing it to conjugates made with different linkers. However, there is no standard animal protocol for the linker itself.
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| ADME/Pharmacokinetics |
Propargyl-PEG8-acid has a molecular weight of 436.49 g/mol and a molecular formula of C20H36O10. It has a CAS number of 2055014-94-1. It is a solid compound. It is soluble in organic solvents such as DMSO. For storage, it is recommended to keep the powder at -20°C. Detailed pharmacokinetic properties are not relevant as the compound is a linker, not a therapeutic agent. As a research chemical, its stability is maintained by proper storage.
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| Toxicity/Toxicokinetics |
Propargyl-PEG8-acid is considered to have low toxicity, consistent with other PEG-based linkers. PEG polymers are widely regarded as biocompatible, non-toxic, and non-immunogenic. The compound is classified as a research reagent, and standard laboratory safety precautions should be followed when handling it. Its toxicity profile has not been extensively studied, but due to its intended use and chemical class, it is not expected to be acutely toxic.
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| References |
[1]. Suzanne AKERS-RODRIGUEZ, et al. Compositions and methods for the treatment of bacterial infections. WO2019126353A2.
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| Additional Infomation |
Propargyl-PEG8-acid is a research-use-only reagent and is not a drug, nor is it approved for any clinical or therapeutic use. It is a heterobifunctional PEG linker containing a propargyl group and a carboxylic acid. It is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs) and a PEG-based PROTAC linker. The propargyl group enables click chemistry, and the carboxylic acid enables amide bond formation. The extended PEG8 spacer imparts extended flexibility, hydrophilicity, and solubility, while reducing aggregation.
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| Molecular Formula |
C20H36O10
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|---|---|
| Molecular Weight |
436.5
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| Exact Mass |
436.23
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| CAS # |
2055014-94-1
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| PubChem CID |
102514878
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.1±0.1 g/cm3
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| Boiling Point |
531.0±50.0 °C at 760 mmHg
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| Flash Point |
171.9±23.6 °C
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| Vapour Pressure |
0.0±3.0 mmHg at 25°C
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| Index of Refraction |
1.469
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| LogP |
-2.23
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
10
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| Rotatable Bond Count |
25
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| Heavy Atom Count |
30
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| Complexity |
410
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCC#C
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| InChi Key |
QZQUQXNQKWZDNM-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H36O10/c1-2-4-23-6-8-25-10-12-27-14-16-29-18-19-30-17-15-28-13-11-26-9-7-24-5-3-20(21)22/h1H,3-19H2,(H,21,22)
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| Chemical Name |
3-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
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| Synonyms |
Propargyl-PEG8-acid Propyne-PEG7-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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 2.2910 mL | 11.4548 mL | 22.9095 mL | |
| 5 mM | 0.4582 mL | 2.2910 mL | 4.5819 mL | |
| 10 mM | 0.2291 mL | 1.1455 mL | 2.2910 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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