| Size | Price | Stock | Qty |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
| Other Sizes |
| Targets |
CRBN modulator 1 targets cereblon (CRBN), a substrate receptor for the E3 ubiquitin ligase complex. By binding to CRBN, it modulates the activity of the E3 ligase, which can lead to the ubiquitination and degradation of target proteins. The compound is a Thalidomide analog.
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| ln Vitro |
In vitro, CRBN modulator 1 binds to CRBN with an IC50 of 3.5 μM and a Ki of 0.98 μM. It is a Thalidomide analog and a CRBN modulator. The compound is used as a ligand for E3 ligase in PROTAC research.
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| ln Vivo |
In vivo activity data for CRBN modulator 1 are not extensively detailed in the available sources. As a CRBN modulator, it has potential applications in PROTAC-based drug discovery. Specific in vivo efficacy data in animal models have not been reported.
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| Enzyme Assay |
The in vitro binding assay for CRBN modulator 1 involves measuring its affinity for cereblon (CRBN). Radioligand binding assays or surface plasmon resonance (SPR) are performed using recombinant CRBN protein. The IC50 of 3.5 μM and Ki of 0.98 μM are determined from dose-response curves.
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| Cell Assay |
Cellular assays for CRBN modulator 1 are performed using cells expressing CRBN. Cells are treated with the compound, and its effects on the ubiquitination and degradation of CRBN substrates are assessed by Western blotting.
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| Animal Protocol |
In vivo animal studies for CRBN modulator 1 are not detailed in the available sources. The compound is a research tool for studying CRBN function. Specific animal models, dosing regimens, and efficacy data have not been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for CRBN modulator 1 are not available in the provided sources. The compound has a molecular weight of 324.29 g/mol. It is soluble in DMSO. Specific PK parameters have not been reported.
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| Toxicity/Toxicokinetics |
Toxicity data for CRBN modulator 1 are not reported in the available sources. As a research compound, it is not intended for therapeutic use. Specific toxicological profiles have not been characterized.
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| References | |
| Additional Infomation |
CRBN modulator 1 is a research compound for studying CRBN function in PROTAC-mediated protein degradation. It is a Thalidomide analog and a CRBN modulator with an IC50 of 3.5 μM. The compound is available from commercial suppliers for research purposes only.
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| Molecular Formula |
C17H12N2O5
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|---|---|
| Molecular Weight |
324.28758430481
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| Exact Mass |
324.074
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| CAS # |
2407829-65-4
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| Related CAS # |
2407829-65-4;
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| PubChem CID |
152258126
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| Appearance |
Light green to green solid powder
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
680.0±50.0 °C at 760 mmHg
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| Flash Point |
365.0±30.1 °C
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| Vapour Pressure |
0.0±2.2 mmHg at 25°C
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| Index of Refraction |
1.736
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| LogP |
0.06
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
24
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| Complexity |
618
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)O
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| InChi Key |
WGTKYDFLBDSIPX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H12N2O5/c20-9-6-8-2-1-3-10-14(8)11(7-9)17(24)19(16(10)23)12-4-5-13(21)18-15(12)22/h1-3,6-7,12,20H,4-5H2,(H,18,21,22)
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| Chemical Name |
2-(2,6-dioxopiperidin-3-yl)-5-hydroxybenzo[de]isoquinoline-1,3-dione
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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 |
| 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) |
DMSO : ~10 mg/mL (~30.84 mM)
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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 | 3.0837 mL | 15.4183 mL | 30.8366 mL | |
| 5 mM | 0.6167 mL | 3.0837 mL | 6.1673 mL | |
| 10 mM | 0.3084 mL | 1.5418 mL | 3.0837 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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