BRD4/CK2-IN-1
Based on 1 Customer Validation
BRD4/CK2-IN-1 is the first highly effective and oral active dual-target inhibitor of BRD4/CK2 (bromodomain-containing protein 4/casein kinase 2), with IC50s of 180 nM and 230 nM for BRD4 and CK2, respectively. BRD4/CK2-IN-1 has strong anticancer activity without obvious toxicities. BRD4/CK2-IN-1 induces apoptosis and autophagy-associated cell death in triple-negative breast cancer (TNBC)
For research use only. We do not sell to patients.
- Purity: 98.21%
- CAS No.: 2756851-99-5
- Formula: C29H30ClN5O5
- Molecular Weight:564.03
-
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]
-
Biological Activity
-
Chemical Information
-
Solvent & Solubility
- Purity & Documentation
- References
-
Help & FAQs
Biological Activity
|
BRD4 180 nM (IC50) |
CK2 230 nM (IC50) |
|
Cell Line
|
Type | Value | Description | References |
|---|---|---|---|---|
| MDA-MB-231 | IC50 |
2.66 μM
Compound: 44e
|
Antiproliferative activity against human MDA-MB-231 cells incubated for 24 hrs by MTT assay
Antiproliferative activity against human MDA-MB-231 cells incubated for 24 hrs by MTT assay
|
[PMID: 34908415] |
| MDA-MB-468 | IC50 |
3.52 μM
Compound: 44e
|
Antiproliferative activity against human MDA-MB-468 cells incubated for 24 hrs by MTT assay
Antiproliferative activity against human MDA-MB-468 cells incubated for 24 hrs by MTT assay
|
[PMID: 34908415] |
BRD4/CK2-IN-1 (compound 44e) (0-25 μM; 24 hours) has anti-proliferation effect with IC50s of 2.66 and 3.52 μM in MDA-MB-231 and MDA-MB-468 cells, respectively[1].
BRD4/CK2-IN-1 (0-10 μM; 24 hours) dose-dependently induces apoptosis of MDA-MB-231 and MDA-MB-468 cells[1].
BRD4/CK2-IN-1 (0-10 μM; 24 hours) dose-dependently downregulates Bcl-2 but upregulates Bax and cleaved caspase-3[1].
BRD4/CK2-IN-1 (0-10 μM; 24 hours) significantly downregulates the autophagy substrate p62 and up-regulated beclin-1 and LC3II in MDA-MB-231 and MDA-MB[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
Cell Line:MDA-MB-231, MDA-MB-468 cells
-
Concentration:0, 0.19, 0.39, 0.78, 1.56, 3.13, 6.25, 12.5, 25 μM
-
Incubation Time:24 hours
-
Result:Showed anti-proliferative rates in MDA-MB-231 and MDA-MB-468 cells (IC50 = 2.66 and 3.52 μM, respectively).
-
Cell Line:MDA-MB-231, MDA-MB-468 cells
-
Concentration:0, 2.5, 5, 10 μM
-
Incubation Time:24 hours
-
Result:Dose-dependently induced apoptosis of MDA-MB-231 and MDA-MB-468 cells.
-
Cell Line:MDA-MB-231, MDA-MB-468 cells
-
Concentration:0, 2.5, 5, 10 μM
-
Incubation Time:24 hours
-
Result:Dose-dependently downregulated Bcl-2 but upregulated Bax and cleaved caspase-3.
-
Cell Line:
-
Concentration:
-
Incubation Time:
-
Result:
BRD4/CK2-IN-1 (25 and 50mg/kg; intragastric administration; daily for 19 days) shows weak toxicity measured by body weight loss in the MDA-MB-231 and MDA-MB-468 xenograft models[1].
Preliminary Assessment of Pharmacokinetics (PK) profile of BRD4/CK2-IN-1[1].
| Parameter | iv (1 mg/kg) | po (10 mg/kg) |
| T1/2 (h) | 4.21±0.57 | 5.14±0.71 |
| Cmax (ng/mL) | 237±11 | 206±6 |
| AUC0-t (ng·h/mL) | 579±49 | 2079±130 |
| AUC0-∞ (ng·h/mL) | 588±36 | 2090±146 |
| VZ (L/kg) | 21.1±2.6 | |
| CL ((mL/min)/kg) | 57.4±1.3 | |
| F (%) | 32.5 |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
-
Animal Model:Female nude mice (BALB/c, 6-8 weeks, 20-22 g) bearing MDA-MB-231 cells[1]
-
Dosage:25 and 50 mg/kg
-
Administration:Intragastric administration; daily for 19 days
-
Result:Had the most pronounced tumor growth inhibition (TGI) (63.8%) in the MDA-MB-231 xenograft tumor model at 50 mg/kg.
Chemical Information
-
CAS No. 2756851-99-5
-
Appearance Solid
-
Molecular Weight 564.03
-
Formula C29H30ClN5O5
-
Color White to off-white
-
SMILES
O=C1C2=C(OC)C=C(OC)C=C2N=C(C3=CC=C(OCC(NC4=CC(Cl)=C(N5CCN(C)CC5)C=C4)=O)C=C3)N1
-
Shipping
Room temperature in continental US; may vary elsewhere.
-
Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Solvent & Solubility
DMSO : 20 mg/mL (35.46 mM; ultrasonic and warming and adjust pH to 3 with HCl 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)
Purity & Documentation
-
Data Sheet (280 KB)
-
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)
-
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 |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.7730 mL | 8.8648 mL | 17.7296 mL | 44.3239 mL |
| 5 mM | 0.3546 mL | 1.7730 mL | 3.5459 mL | 8.8648 mL | |
| 10 mM | 0.1773 mL | 0.8865 mL | 1.7730 mL | 4.4324 mL | |
| 15 mM | 0.1182 mL | 0.5910 mL | 1.1820 mL | 2.9549 mL | |
| 20 mM | 0.0886 mL | 0.4432 mL | 0.8865 mL | 2.2162 mL | |
| 25 mM | 0.0709 mL | 0.3546 mL | 0.7092 mL | 1.7730 mL | |
| 30 mM | 0.0591 mL | 0.2955 mL | 0.5910 mL | 1.4775 mL |
BRD4/CK2-IN-1 Related Classifications
HY-145260 Related Classifications
Powered by Bioz