| Size | Price | |
|---|---|---|
| Other Sizes |
Purity: ≥98%
| Targets |
endo-BCN-PEG12-NHS ester does not have a specific biological target; it is a chemical linker for bioconjugation. The NHS ester group reacts with primary amines (-NH₂) on proteins, amine-modified oligonucleotides, and other amine-containing molecules. The BCN group undergoes strain-promoted alkyne-azide cycloaddition (SPAAC) with azide-tagged biomolecules. This orthogonal reactivity enables the creation of complex bioconjugates.
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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-PEG12-NHS ester is not a bioactive compound with in vitro activity in the traditional sense. Its utility lies in its chemical reactivity as a linker for bioconjugation. It is used to label proteins, peptides, and other molecules, enabling their subsequent detection, immobilization, or conjugation to other entities. Its activity is assessed by the efficiency of these conjugation reactions. |
| ln Vivo |
endo-BCN-PEG12-NHS ester is not used as a therapeutic agent and does not have in vivo activity in the pharmacological sense. It is a research reagent used for the ex vivo or in vitro synthesis of bioconjugates, such as antibody-drug conjugates (ADCs), which may later be tested in animal models. Its properties contribute to the pharmacokinetic and biodistribution profile of the final conjugate.
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| Enzyme Assay |
Non-cellular assays for endo-BCN-PEG12-NHS ester involve assessing its reactivity in chemical conjugation reactions. The NHS ester group can be reacted with a primary amine-containing molecule, and the formation of the amide bond is monitored by analytical techniques such as HPLC or mass spectrometry. The BCN group's reactivity can be assessed through a strain-promoted alkyne-azide cycloaddition (SPAAC) reaction with an azide-containing molecule, monitored by similar analytical methods.
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| Cell Assay |
In vitro cellular assays are not applicable for endo-BCN-PEG12-NHS ester, as it is a chemical linker used in synthesis, not a bioactive molecule. It may be used to synthesize conjugates that are later tested in cellular assays for target engagement or biological activity, but the linker itself does not have direct cellular effects. Its role is to provide a hydrophilic PEG spacer and orthogonal functional groups for bioconjugation.
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| Animal Protocol |
In vivo animal experiments are not applicable for endo-BCN-PEG12-NHS ester, as it is a chemical linker, not a therapeutic agent. It is used in the synthesis of conjugates, such as ADCs, that may be tested in animal models. The properties of the PEG12 spacer influence the pharmacokinetic properties of the final conjugate, including circulation half-life and biodistribution.
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| ADME/Pharmacokinetics |
endo-BCN-PEG12-NHS ester has a molecular weight of 891.0 and a molecular formula of C₄₂H₇₀N₂O₁₈. It is a solid powder that is soluble in DMSO, DCM, and DMF. For storage, the powder should be kept at -20°C, protected from light and moisture. It is a heterobifunctional linker combining an endo-BCN moiety for SPAAC, a PEG12 spacer, and an NHS ester for amine coupling.
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| Toxicity/Toxicokinetics |
endo-BCN-PEG12-NHS ester is a chemical reagent and is not intended for therapeutic use. Standard laboratory safety precautions should be followed when handling the compound. It may cause skin, eye, and respiratory irritation. Appropriate personal protective equipment should be used. The compound is intended for research use only.
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| References |
Sano K, Nakajima T, Miyazaki K, Ohuchi Y, Ikegami T, Choyke PL, Kobayashi H. Short PEG-linkers improve the performance of targeted, activatable monoclonal antibody-indocyanine green optical imaging probes. Bioconjug Chem. 2013 May 15;24(5):811-6.
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| Additional Infomation |
endo-BCN-PEG12-NHS ester (CAS 2183440-26-6) is a heterobifunctional PEG linker combining an endo-BCN moiety for strain-promoted alkyne-azide cycloaddition (SPAAC), a PEG12 spacer, and an NHS ester for amine coupling. It is a valuable tool for bioconjugation, including the development of antibody-drug conjugates (ADCs) and drug delivery methods. It is available from various commercial suppliers for research applications.
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| Molecular Formula |
C42H70N2O18
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|---|---|
| Molecular Weight |
891.007814884186
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| Exact Mass |
890.462
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| CAS # |
2183440-26-6
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| PubChem CID |
129012711
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| Appearance |
Typically exists as solid at room temperature
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| Density |
1.2±0.1 g/cm3
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| Index of Refraction |
1.522
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| LogP |
-3.67
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
18
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| Rotatable Bond Count |
44
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| Heavy Atom Count |
62
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| Complexity |
1230
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O(C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(CCC1=O)=O)=O)CC1C2CCC#CCCC21
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| InChi Key |
IBETWWKNNXABHK-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C42H70N2O18/c45-39-7-8-40(46)44(39)62-41(47)9-11-49-13-15-51-17-19-53-21-23-55-25-27-57-29-31-59-33-34-60-32-30-58-28-26-56-24-22-54-20-18-52-16-14-50-12-10-43-42(48)61-35-38-36-5-3-1-2-4-6-37(36)38/h36-38H,3-35H2,(H,43,48)
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| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
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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 | 1.1223 mL | 5.6116 mL | 11.2232 mL | |
| 5 mM | 0.2245 mL | 1.1223 mL | 2.2446 mL | |
| 10 mM | 0.1122 mL | 0.5612 mL | 1.1223 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.
Products are for research use only; We do not sell to patients
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