| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
endo-BCN-PEG4-NHS ester is a PROTAC/ADC linker and does not have a direct biological target itself. Its function is to serve as a chemical bridge in the synthesis of PROTACs and ADCs. In PROTACs, the linker connects an E3 ubiquitin ligase ligand to a target protein ligand, enabling targeted protein degradation. In ADCs, the linker connects an antibody to a cytotoxic payload, enabling targeted delivery of the drug to cancer cells. The NHS ester group on the linker reacts with primary amines on antibodies or other targeting ligands, forming a stable amide bond. The BCN moiety enables SPAAC click chemistry for conjugation to azide-functionalized molecules. The PEG spacer provides hydrophilicity and flexibility, which can improve the solubility and bioavailability of the resulting conjugate. By facilitating the formation of PROTACs and ADCs, endo-BCN-PEG4-NHS ester enables the selective modulation of protein function and targeted drug delivery.
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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].
endo-BCN-PEG4-NHS ester is a chemical linker and does not exhibit intrinsic biological activity. Its in vitro activity is assessed in the context of the PROTACs or ADCs that are synthesized using it. For PROTACs, the efficiency of the linker in enabling the formation of functional PROTACs and the subsequent degradation of target proteins is evaluated. For ADCs, the linker's ability to enable the conjugation of the antibody to the payload and the subsequent cytotoxicity of the ADC against target cells is assessed. These assays are crucial for validating the efficacy of PROTACs and ADCs. |
| ln Vivo |
endo-BCN-PEG4-NHS ester is not a drug and does not have in vivo activity on its own. Its in vivo effects are evaluated in the context of the PROTACs or ADCs that are synthesized using it. The efficacy of a PROTAC or ADC containing this linker is assessed in animal models of disease. The pharmacokinetic properties of the conjugate, such as its bioavailability, distribution, and half-life, are also influenced by the linker. These in vivo studies are essential for demonstrating the therapeutic potential of PROTACs and ADCs.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cellular) assay for endo-BCN-PEG4-NHS ester is not applicable, as it is a chemical linker and does not bind to enzymes or receptors. Its chemical reactivity can be assessed using conjugation reactions. For example, the efficiency of the NHS ester reaction with an amine-containing molecule or the SPAAC reaction between the BCN moiety and an azide can be monitored by HPLC or mass spectrometry. These assays are used to characterize the linker's chemical properties and reactivity.
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| Cell Assay |
The in vitro cellular assay for endo-BCN-PEG4-NHS ester is typically performed in the context of a PROTAC or ADC that incorporates this linker. For PROTACs, cells are treated with the PROTAC, and the degradation of the target protein is measured by Western blot. For ADCs, the cytotoxicity of the ADC against target cells is assessed using cell viability assays. The concentration-dependent effects are evaluated to determine the potency of the conjugate. These cellular assays are crucial for validating the efficacy and selectivity of PROTACs and ADCs.
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| Animal Protocol |
The in vivo animal experimental protocol for endo-BCN-PEG4-NHS ester is not applicable, as it is not a drug itself. However, animal models are used to evaluate the efficacy of PROTACs or ADCs that are synthesized using this linker. In a typical study, mice bearing tumor xenografts are treated with a PROTAC or ADC containing this linker, and tumor growth is monitored. The degradation of the target protein or the anti-tumor activity is assessed. The pharmacokinetic properties and tolerability of the conjugate are also assessed. These in vivo models are essential for demonstrating the therapeutic potential of PROTACs and ADCs.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic (PK) data for endo-BCN-PEG4-NHS ester are not applicable, as it is a chemical linker and not a drug. The PK properties of PROTACs or ADCs synthesized using this linker would be determined by the overall properties of the conjugate.
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| Toxicity/Toxicokinetics |
Specific toxicity (toxicology) data for endo-BCN-PEG4-NHS ester are not applicable, as it is a chemical linker and not a drug. The toxicity of PROTACs or ADCs synthesized using this linker would be assessed in preclinical toxicology studies.
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| References | |
| Additional Infomation |
endo-BCN-PEG4-NHS ester is a PEG-based linker for PROTACs and ADCs. It contains an NHS ester group for conjugation to amines and a BCN moiety for SPAAC click chemistry. The compound has a molecular formula of C26H38N2O10 and a molecular weight of 538.6. It is used for the synthesis of PROTACs and ADCs to enable targeted protein degradation and targeted drug delivery.
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| Molecular Formula |
C26H38N2O10
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|---|---|
| Molecular Weight |
538.58732843399
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| Exact Mass |
538.252
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| CAS # |
1807501-86-5
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| PubChem CID |
102514852
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.544
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| LogP |
-0.81
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| tPSA |
139
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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 |
20
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| Heavy Atom Count |
38
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| Complexity |
833
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(NCCOCCOCCOCCOCCC(=O)ON1C(CCC1=O)=O)=O)CC1C2CCC#CCCC21
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| InChi Key |
MFQCOKMBYCIQEJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H38N2O10/c29-23-7-8-24(30)28(23)38-25(31)9-11-33-13-15-35-17-18-36-16-14-34-12-10-27-26(32)37-19-22-20-5-3-1-2-4-6-21(20)22/h20-22H,3-19H2,(H,27,32)
|
| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
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| Synonyms |
endo-BCN-PEG4-NHS ester
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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 | 1.8567 mL | 9.2835 mL | 18.5670 mL | |
| 5 mM | 0.3713 mL | 1.8567 mL | 3.7134 mL | |
| 10 mM | 0.1857 mL | 0.9284 mL | 1.8567 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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