| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
PEGs Alkyl/ether
PROTAC Linkers. |
|---|---|
| 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].
As a linker molecule, DBCO-PEG12-NHS ester itself has no intrinsic biological activity; it serves as a structural connector to join a target protein ligand and an E3 ubiquitin ligase ligand in PROTAC synthesis. The DBCO group enables copper-free click chemistry with azide-containing molecules. |
| ln Vivo |
No specific in vivo activity has been reported for this linker alone; its activity is derived from the final PROTAC molecule after conjugation with appropriate ligands. The in vivo efficacy of a complete PROTAC is determined in animal models.
|
| Enzyme Assay |
N/A; this compound is not assessed in isolated enzyme/receptor binding assays. As a synthetic intermediate, its quality is confirmed by analytical methods such as HPLC and NMR, with a standard purity of 98%. The DBCO group is a bioorthogonal handle that reacts specifically with azides.
|
| Cell Assay |
N/A; this linker is not tested alone in cell-based assays. In a typical protocol, the NHS ester reacts with a primary amine-containing ligand in a buffer such as PBS (pH 7.4) at room temperature for 1-2 hours. The resulting DBCO-functionalized ligand can then be conjugated to an azide via SPAAC.
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| Animal Protocol |
N/A; no animal studies are performed with the linker alone. For the final PROTAC conjugate, in vivo studies are conducted following institutional guidelines. The compound is typically formulated using a vehicle containing DMSO, PEG300, Tween-80, and saline.
|
| ADME/Pharmacokinetics |
This compound has a molecular weight of 1002.1, a molecular formula of C50H71N3O18, and is typically stored as a powder at -20degC for up to 3 years or in a solvent at -80degC for 1 year. It is soluble in DMSO, DCM, and DMF. The product should be kept away from direct sunlight.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not for human or veterinary use. Standard chemical safety precautions should be observed during handling. The DBCO group is reactive and should be handled with care to avoid premature reaction with azides in the environment.
|
| References | |
| Additional Infomation |
The long PEG12 spacer provides excellent water solubility and reduces steric hindrance, which is critical for the formation of effective PROTACs. The combination of an NHS ester and a DBCO group enables a two-step "tag-and-modify" strategy, first conjugating to an amine, then to an azide via copper-free click chemistry. This linker is also widely used in bioconjugation, surface modification, and ADC development.
|
| Molecular Formula |
(C2H4O)NC28H27N3O7
|
|---|---|
| Molecular Weight |
1002.11
|
| Exact Mass |
1001.473
|
| CAS # |
2093934-94-0
|
| PubChem CID |
134827745
|
| Appearance |
Colorless to light yellow ointment
|
| LogP |
-0.8
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
18
|
| Rotatable Bond Count |
44
|
| Heavy Atom Count |
71
|
| Complexity |
1530
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1C2C=CC=CC=2CN(C(=O)CCC(=O)NCCC{-}OCCC{+n}OCCC(ON2C(=O)CCC2=O)=O)C2C(C#1)=CC=CC=2
|
| InChi Key |
AFUFPIOHTWMNMM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C50H71N3O18/c54-46(11-12-47(55)52-41-44-7-2-1-5-42(44)9-10-43-6-3-4-8-45(43)52)51-16-18-60-20-22-62-24-26-64-28-30-66-32-34-68-36-38-70-40-39-69-37-35-67-33-31-65-29-27-63-25-23-61-21-19-59-17-15-50(58)71-53-48(56)13-14-49(53)57/h1-8H,11-41H2,(H,51,54)
|
| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). 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)
|
| Solubility (In Vitro) |
DMSO :~100 mg/mL (~99.79 mM)
|
|---|---|
| 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 | 0.9979 mL | 4.9895 mL | 9.9789 mL | |
| 5 mM | 0.1996 mL | 0.9979 mL | 1.9958 mL | |
| 10 mM | 0.0998 mL | 0.4989 mL | 0.9979 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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