| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
| Targets |
Cereblon
CRBN (cereblon), an E3 ubiquitin ligase. |
|---|---|
| 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[2].
This conjugate binds to cereblon via its thalidomide moiety, recruiting the E3 ubiquitin ligase complex to target proteins when the terminal carboxylic acid is conjugated to a target protein ligand, enabling ubiquitination and proteasomal degradation. |
| ln Vivo |
No specific in vivo activity has been reported for this conjugate alone; its degradation activity is observed only when conjugated to a target protein ligand to form a complete PROTAC molecule.
|
| Enzyme Assay |
N/A; as an E3 ligase ligand-linker conjugate, its cereblon-binding affinity is typically validated using biophysical assays such as surface plasmon resonance or by functional degradation assays with complete PROTAC constructs.
|
| Cell Assay |
N/A; this conjugate is not tested alone in cell-based assays but is incorporated into complete PROTACs for cellular degradation studies. PROTACs contain two different ligands connected by a linker; one ligand is for an E3 ubiquitin ligase, and the other is for the target protein.
|
| Animal Protocol |
N/A; no animal studies are performed with the ligand-linker conjugate alone.
|
| ADME/Pharmacokinetics |
This compound has a molecular weight of 433.41 and molecular formula C20H23N3O8. Typically stored as a powder at -20degC. The PEG2 spacer provides hydrophilic properties and improves solubility in aqueous buffers compared to longer alkyl chains.
|
| Toxicity/Toxicokinetics |
This product is for research use only, not for human or veterinary use. Standard chemical safety precautions should be followed during handling. The terminal carboxylic acid enables conjugation to target protein ligands containing primary amines via standard coupling chemistry (e.g., EDC/NHS), making it a versatile building block for constructing cereblon-recruiting PROTACs with a shorter PEG spacer.
|
| References |
| Molecular Formula |
C20H23N3O8
|
|---|---|
| Molecular Weight |
433.4119
|
| Exact Mass |
433.148
|
| CAS # |
2412056-45-0
|
| PubChem CID |
146410308
|
| Appearance |
Light green to green solid powder
|
| LogP |
-0.5
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
11
|
| Heavy Atom Count |
31
|
| Complexity |
727
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NCCOCCOCCC(=O)O
|
| InChi Key |
TWTMAVHRHZISKR-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H23N3O8/c24-16-4-3-15(18(27)22-16)23-19(28)13-2-1-12(11-14(13)20(23)29)21-6-8-31-10-9-30-7-5-17(25)26/h1-2,11,15,21H,3-10H2,(H,25,26)(H,22,24,27)
|
| Chemical Name |
3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]propanoic acid
|
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 :~125 mg/mL (~288.41 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 | 2.3073 mL | 11.5364 mL | 23.0728 mL | |
| 5 mM | 0.4615 mL | 2.3073 mL | 4.6146 mL | |
| 10 mM | 0.2307 mL | 1.1536 mL | 2.3073 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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