| Size | Price | Stock | Qty |
|---|---|---|---|
| 250mg |
|
||
| Other Sizes |
| Targets |
Cereblon
CRBN (cereblon), an E3 ubiquitin ligase. |
|---|---|
| ln Vitro |
As a cereblon-binding ligand, Thalidomide-O-C8-Boc binds to CRBN and promotes the recruitment of the E3 ubiquitin ligase complex, facilitating the ubiquitination and degradation of target proteins when incorporated into a PROTAC molecule.
|
| ln Vivo |
No specific in vivo activity has been reported for this ligand alone; its in vivo effects are observed only after conjugation with a target protein ligand to form a complete PROTAC molecule.
|
| Enzyme Assay |
N/A; as a ligand, its binding affinity to cereblon is typically determined using biophysical methods such as surface plasmon resonance or cellular assays with complete PROTAC constructs.
|
| Cell Assay |
N/A; this ligand is not evaluated alone in cell-based assays but is used as a building block to construct cereblon-recruiting PROTACs for cellular degradation studies.
|
| Animal Protocol |
N/A; no animal studies are performed with the ligand alone.
|
| ADME/Pharmacokinetics |
This compound has a molecular weight of 486.56 and is typically stored as a powder at -20degC. The eight-carbon alkyl spacer provides appropriate distance between the cereblon ligand and the conjugated target ligand in PROTAC molecules.
|
| Toxicity/Toxicokinetics |
This product is for laboratory research use only and is not for human therapeutic or clinical applications. Standard chemical safety precautions should be observed during handling.
|
| References | |
| Additional Infomation |
The Boc-protected ligand can be deprotected under acidic conditions to reveal a free amine for subsequent conjugation to target protein ligands containing carboxylic acids, making it a valuable building block for PROTAC development in targeted protein degradation research.
|
| Molecular Formula |
C26H34N2O7
|
|---|---|
| Molecular Weight |
486.557367801666
|
| Exact Mass |
486.236
|
| CAS # |
2225148-52-5
|
| PubChem CID |
146454256
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
13
|
| Heavy Atom Count |
35
|
| Complexity |
819
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC(C)(C)OC(=O)CCCCCCCCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
|
| InChi Key |
XHFRZVFJJQOBAQ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C26H34N2O7/c1-26(2,3)35-21(30)13-8-6-4-5-7-9-16-34-19-12-10-11-17-22(19)25(33)28(24(17)32)18-14-15-20(29)27-23(18)31/h10-12,18H,4-9,13-16H2,1-3H3,(H,27,29,31)
|
| Chemical Name |
tert-butyl 9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanoate
|
| 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. |
| 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 (~205.52 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.14 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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: ≥ 2.5 mg/mL (5.14 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.14 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0552 mL | 10.2762 mL | 20.5524 mL | |
| 5 mM | 0.4110 mL | 2.0552 mL | 4.1105 mL | |
| 10 mM | 0.2055 mL | 1.0276 mL | 2.0552 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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