| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| Other Sizes |
| Targets |
Cereblon
CRBN (Cereblon), an E3 ubiquitin ligase. |
|---|---|
| ln Vitro |
As a cereblon-binding ligand-linker conjugate, this compound itself has no intrinsic biological activity; its function is to recruit the E3 ubiquitin ligase complex. The terminal amine group is used to conjugate to a target protein ligand, forming a complete PROTAC that can bind to a target protein and induce its ubiquitination and proteasomal degradation.
|
| ln Vivo |
No specific in vivo activity has been reported for this conjugate alone; its in vivo degradation activity is observed only when conjugated to a target protein ligand to form a complete PROTAC molecule. The in vivo efficacy is typically evaluated in animal models of disease using the complete PROTAC.
|
| 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%. Its cereblon-binding affinity is validated as part of a complete PROTAC construct.
|
| Cell Assay |
N/A; this conjugate is not tested alone in cell-based assays. In a typical protocol for a complete PROTAC, cells are treated with the compound for 4-24 hours. Target protein levels are then quantified by Western blotting or a degradation assay to determine the DC50 (half-maximal degradation concentration).
|
| Animal Protocol |
N/A; no animal studies are performed with the ligand-linker conjugate alone. For in vivo studies of a final PROTAC, the molecule is formulated in a suitable vehicle (e.g., 10% DMSO, 40% PEG300, 5% Tween-80, 45% saline) and administered to animal models. Target engagement and efficacy are measured by protein knockdown and tumor growth inhibition.
|
| ADME/Pharmacokinetics |
The hydrochloride salt form enhances water solubility. This compound has a molecular weight of 528.98, a molecular formula of C23H33ClN4O8, and is typically stored as a powder at -20degC for up to 3 years, sealed and away from moisture. It is soluble in DMSO (220 mg/mL) and in water (100 mg/mL).
|
| Toxicity/Toxicokinetics |
This product is for research use only and is not for human or veterinary use. Standard chemical safety precautions should be followed during handling. It should be stored in a sealed and protected environment, avoiding exposure to moisture.
|
| References | |
| Additional Infomation |
The four-unit PEG spacer provides an optimal length for balancing aqueous solubility and linker flexibility in PROTAC design. The terminal primary amine is a versatile handle for conjugation to target protein ligands via amide bond formation using standard coupling reagents like EDC or HATU.
|
| Molecular Formula |
C23H33CLN4O8
|
|---|---|
| Molecular Weight |
528.983125448227
|
| Exact Mass |
528.198
|
| CAS # |
2357105-92-9
|
| Related CAS # |
Pomalidomide-PEG4-C2-NH2;2225940-52-1
|
| PubChem CID |
138695332
|
| Appearance |
Light yellow to light brown solid powder
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
36
|
| Complexity |
736
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCN.Cl
|
| InChi Key |
MKXCSQUCSKIOOB-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C23H32N4O8.ClH/c24-6-8-32-10-12-34-14-15-35-13-11-33-9-7-25-17-3-1-2-16-20(17)23(31)27(22(16)30)18-4-5-19(28)26-21(18)29;/h1-3,18,25H,4-15,24H2,(H,26,28,29);1H
|
| Chemical Name |
4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
|
| 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, 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 :~220 mg/mL (~415.89 mM)
H2O :~100 mg/mL (~189.04 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 5.5 mg/mL (10.40 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 5.5 mg/mL (10.40 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.8904 mL | 9.4522 mL | 18.9043 mL | |
| 5 mM | 0.3781 mL | 1.8904 mL | 3.7809 mL | |
| 10 mM | 0.1890 mL | 0.9452 mL | 1.8904 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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