| Size | Price | Stock | Qty |
|---|---|---|---|
| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Cereblon
CRBN (Cereblon), an E3 ubiquitin ligase. |
|---|---|
| ln Vitro |
Thalidomide-NH-PEG4-COOH (S13) is the conjugate of dCBP-1's E3 ligase ligand-linker[1].
As a cereblon-binding ligand-linker conjugate, Thalidomide-NH-PEG4-COOH itself has no intrinsic biological activity; its function is to recruit the E3 ubiquitin ligase complex. The terminal carboxylic acid is conjugated to a target protein ligand to form a complete PROTAC. In the specific case of dCBP-1, this conjugate is used to degrade p300 and CBP. |
| 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 like dCBP-1. The in vivo efficacy of dCBP-1 is studied in animal models of cancer and other diseases.
|
| 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 binding affinity to cereblon 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 dCBP-1, cells are treated with the complete PROTAC for 4-24 hours. p300 and CBP 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 dCBP-1, 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.
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| ADME/Pharmacokinetics |
This compound has a molecular weight of 521.52, a molecular formula of C24H31N3O10, and is typically stored as a solid-liquid mixture at -20degC for up to 3 years or in a solvent at -80degC for 6 months. It is soluble in DMSO. The PEG4 spacer provides hydrophilicity and flexibility.
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| Toxicity/Toxicokinetics |
This product is for research use only and is not for human therapeutic or clinical applications. Standard chemical safety precautions should be observed during handling. It is for research use only; we do not sell to patients.
|
| References | |
| Additional Infomation |
p300 and CBP are histone acetyltransferases (HATs) that play critical roles in gene regulation and are promising therapeutic targets in cancer, inflammatory diseases, and neurological disorders. dCBP-1, synthesized using this conjugate, was the first selective degrader of p300/CBP. By degrading both proteins, it offers a powerful tool for studying their function and a potential therapeutic strategy for diseases where they are dysregulated.
|
| Molecular Formula |
C24H31N3O10
|
|---|---|
| Molecular Weight |
521.52
|
| Exact Mass |
521.2
|
| CAS # |
2412056-48-3
|
| PubChem CID |
146410751
|
| Appearance |
Yellow to green solid-liquid Mixture
|
| LogP |
-0.8
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
11
|
| Rotatable Bond Count |
17
|
| Heavy Atom Count |
37
|
| Complexity |
823
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC(NCCOCCOCCOCCOCCC(=O)O)=CC=C12
|
| InChi Key |
LKZFZWXIYMGKMH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C24H31N3O10/c28-20-4-3-19(22(31)26-20)27-23(32)17-2-1-16(15-18(17)24(27)33)25-6-8-35-10-12-37-14-13-36-11-9-34-7-5-21(29)30/h1-2,15,19,25H,3-14H2,(H,29,30)(H,26,28,31)
|
| Chemical Name |
3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 :~80 mg/mL (~153.40 mM)
H2O :~10 mg/mL (~19.17 mM) |
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 4 mg/mL (7.67 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 40.0 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: ≥ 4 mg/mL (7.67 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 40.0 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 | 1.9175 mL | 9.5874 mL | 19.1747 mL | |
| 5 mM | 0.3835 mL | 1.9175 mL | 3.8349 mL | |
| 10 mM | 0.1917 mL | 0.9587 mL | 1.9175 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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