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| Targets |
CC-885-CH2-PEG1-NH-CH3 targets cereblon (CRBN), a component of the E3 ubiquitin ligase complex. By binding to CRBN, the compound redirects the ubiquitin-proteasome system to degrade specific target proteins. The compound is a neoDegrader that induces targeted protein degradation. It is used in Antibody neoDegrader Conjugates (AnDCs) to specifically degrade target proteins in cancer cells.
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| ln Vitro |
In cell-free biochemical systems, CC-885-CH2-PEG1-NH-CH3 binds to cereblon (CRBN) and induces targeted protein degradation. The compound's binding to CRBN can be assessed using surface plasmon resonance (SPR) or fluorescence polarization assays. The compound's ability to induce protein degradation can be evaluated in cell-free ubiquitination assays using purified E3 ligase components and target proteins.
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| ln Vivo |
In cell-based assays, CC-885-CH2-PEG1-NH-CH3 induces targeted protein degradation through the E3 ubiquitin ligase pathway. The compound's effects are evaluated in cancer cell lines by measuring the degradation of specific target proteins by Western blotting. The compound can specifically degrade the target protein in cancer cells. It is used in the synthesis of Antibody neoDegrader Conjugates (AnDCs).
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| Enzyme Assay |
The cell-free assay for CRBN binding involves measuring the binding of the compound to purified cereblon protein. This can be performed using surface plasmon resonance (SPR) to determine the binding affinity (KD). Fluorescence polarization or AlphaScreen assays can also be used. The compound's ability to induce protein degradation can be assessed using cell-free ubiquitination assays with purified E3 ligase components.
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| Cell Assay |
Cell-based assays for CC-885-CH2-PEG1-NH-CH3 involve culturing cancer cell lines and treating them with the compound at concentrations ranging from 0.01 to 10 μM. Targeted protein degradation is assessed by measuring the levels of specific target proteins by Western blotting. Cell viability is assessed using MTT or CCK-8 assays. The compound's effects on the ubiquitin-proteasome system and downstream signaling pathways are evaluated.
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| Animal Protocol |
In animal models, CC-885-CH2-PEG1-NH-CH3 has been evaluated as part of Antibody neoDegrader Conjugates (AnDCs) for targeted protein degradation. Typical studies involve administration of the AnDC to tumor-bearing mice via intravenous routes. Target protein degradation in tumors is assessed by Western blotting or immunohistochemistry. Tumor growth inhibition and survival are evaluated.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of CC-885-CH2-PEG1-NH-CH3 have not been extensively reported. As a small molecule with a molecular weight of 528.0 g/mol, the compound would be expected to have moderate oral bioavailability and tissue penetration. The compound is typically stored at low temperatures for research use. Further pharmacokinetic studies would be required for therapeutic development.
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| Toxicity/Toxicokinetics |
CC-885-CH2-PEG1-NH-CH3 is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent. As a neoDegrader that induces protein degradation, the compound may have effects on normal cells as well as cancer cells. Standard toxicity studies would be required for therapeutic development.
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| References | |
| Additional Infomation |
CC-885-CH2-PEG1-NH-CH3 is a research-grade compound supplied for targeted protein degradation and AnDC research. It is not an approved pharmaceutical and has no clinical trial history. The compound is a neoDegrader that can specifically degrade target proteins in cancer cells through the E3 ubiquitin ligase pathway. This product is intended for research use only.
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| Molecular Formula |
C26H30CLN5O5
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|---|---|
| Molecular Weight |
528.00
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| Exact Mass |
527.193
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| CAS # |
2722698-03-3
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| PubChem CID |
157578821
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| Appearance |
White to off-white solid powder
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| LogP |
1
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
37
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| Complexity |
844
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N(C1=CC=C(CCOCCNC)C(Cl)=C1)C(NCC1C=CC2=C(C=1)CN(C1CCC(=O)NC1=O)C2=O)=O
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| InChi Key |
CHFAZLBAAPOQTD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H30ClN5O5/c1-28-9-11-37-10-8-17-3-4-19(13-21(17)27)30-26(36)29-14-16-2-5-20-18(12-16)15-32(25(20)35)22-6-7-23(33)31-24(22)34/h2-5,12-13,22,28H,6-11,14-15H2,1H3,(H2,29,30,36)(H,31,33,34)
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| Chemical Name |
1-[3-chloro-4-[2-[2-(methylamino)ethoxy]ethyl]phenyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]urea
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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 | 1.8939 mL | 9.4697 mL | 18.9394 mL | |
| 5 mM | 0.3788 mL | 1.8939 mL | 3.7879 mL | |
| 10 mM | 0.1894 mL | 0.9470 mL | 1.8939 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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