CDK2-IN-31
Based on 1 Customer Validation
CDK2-IN-31 is a CCNE1:CDK2 complex inhibitor with an IC50 of 0.13 μM. CDK2-IN-31 binds to a cryptic allosteric pocket at the CCNE1:CDK2 interface, inducing structural rearrangements of the CDK2 A-loop that disrupt the kinase's active conformation and interfere with substrate binding. CDK2-IN-31 inhibits phosphorylation of retinoblastoma protein 1 (RB1) in CCNE1-dependent ovarian cancer cells. CDK2-IN-31 impairs coenrichment of protein PRC1 with CCNE1-N112C:CDK2 complexes. CDK2-IN-31 can be used for the research of ovarian cancer.
For research use only. We do not sell to patients.
- Purity: 98.22%
- CAS No.: 2813260-27-2
- Formula: C37H52N6O5
- Molecular Weight:660.85
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
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CDK2 |
CDK2-IN-31 (Compound I-125A) (2 h) inhibits kinase activity of mutant CCNE1-N112C:CDK2 and WT CCNE1:CDK2 complexes, with IC50 values ranging from 0.10-0.36 μM[1].
CDK2-IN-31 (1 nM-20 μM; 1 h) engages CCNE1-N112C:CDK2 complexes in intact HEK293T cells with a TE50 of 1.0 μM[1].
CDK2-IN-31 (0.01-20 μM; 1 h) binds endogenous WT CCNE1 in OVCAR3 cells, increasing its thermal stability with a TE50 of 0.9 μM[1].
CDK2-IN-31 (0.01-20 μM; 48 h) inhibits RB1 phosphorylation in CCNE1-dependent OVCAR3 cells with an IC50 of 0.33 μM, but has no effect in CCNE1-independent 22Rv1 cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:OVCAR3 (CCNE1-dependent) and 22Rv1 (CCNE1-independent) cancer cell lines
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Concentration:0.01, 0.05, 0.1, 0.2, 0.5, 1, 2, 5, 10, 20 μM
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Incubation Time:48 h
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Result:Produced a concentration-dependent reduction in phospho-RB1 levels relative to total RB1 in OVCAR3 cells, with an IC50 of 0.33 μM.
Showed no reduction in phospho-RB1 levels in 22Rv1 cells at any tested concentration.
Chemical Information
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CAS No. 2813260-27-2
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Appearance Solid
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Molecular Weight 660.85
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Formula C37H52N6O5
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Color White to off-white
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SMILES
C[C@@H](OCCC1CCCCC1)[C@@H](C(NC)=O)NC([C@H]2C3(CN(C2)C(C4=CN(N=C4)CC5=CC=CC=C5)=O)CN(C3)C([C@@H]6C(C)(C6)C)=O)=O
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 100 mg/mL (151.32 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (3.78 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (3.78 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation
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Data Sheet (274 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Handling Instructions (2659 KB)
References
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 1.5132 mL | 7.5660 mL | 15.1320 mL | 37.8301 mL |
| 5 mM | 0.3026 mL | 1.5132 mL | 3.0264 mL | 7.5660 mL | |
| 10 mM | 0.1513 mL | 0.7566 mL | 1.5132 mL | 3.7830 mL | |
| 15 mM | 0.1009 mL | 0.5044 mL | 1.0088 mL | 2.5220 mL | |
| 20 mM | 0.0757 mL | 0.3783 mL | 0.7566 mL | 1.8915 mL | |
| 25 mM | 0.0605 mL | 0.3026 mL | 0.6053 mL | 1.5132 mL | |
| 30 mM | 0.0504 mL | 0.2522 mL | 0.5044 mL | 1.2610 mL | |
| 40 mM | 0.0378 mL | 0.1892 mL | 0.3783 mL | 0.9458 mL | |
| 50 mM | 0.0303 mL | 0.1513 mL | 0.3026 mL | 0.7566 mL | |
| 60 mM | 0.0252 mL | 0.1261 mL | 0.2522 mL | 0.6305 mL | |
| 80 mM | 0.0189 mL | 0.0946 mL | 0.1892 mL | 0.4729 mL | |
| 100 mM | 0.0151 mL | 0.0757 mL | 0.1513 mL | 0.3783 mL |
CDK2-IN-31 Related Classifications
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