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| 5mg |
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| 10mg |
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| Targets |
BCL6-IN-5 targets BCL6 (B-cell lymphoma 6), a transcriptional repressor that is frequently overexpressed in diffuse large B-cell lymphoma (DLBCL) and other B-cell malignancies. BCL6 functions as a master regulator of germinal center B-cell development and promotes B-cell survival and proliferation. By inhibiting BCL6, BCL6-IN-5 disrupts the transcriptional repression activity of BCL6, leading to reactivation of tumor suppressor genes and induction of apoptosis in BCL6-dependent cancer cells.
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| ln Vitro |
BCL6-IN-5 demonstrates potent in vitro activity as a BCL6 inhibitor with a pIC50 of 5.82. The compound's activity is typically assessed in biochemical assays measuring BCL6 binding affinity and in cellular assays measuring BCL6-dependent gene expression and cell viability. As a highly effective BCL6 inhibitor, it is a valuable tool for studying BCL6 biology and developing therapeutics for BCL6-driven lymphomas.
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| ln Vivo |
In vivo studies for BCL6-IN-5 have not been extensively documented in the available literature. As a potent BCL6 inhibitor, it has potential for in vivo applications in the treatment of B-cell lymphomas. Studies in appropriate animal models of DLBCL would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. The compound's small molecule properties suggest potential for oral bioavailability.
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| Enzyme Assay |
For BCL6 binding assays, BCL6-IN-5 is tested against BCL6 protein at various concentrations. Binding affinity is measured using surface plasmon resonance, isothermal titration calorimetry, or fluorescence polarization assays. pIC50 values are calculated from dose-response curves. For cellular assays, BCL6-dependent cell lines are treated with the compound and BCL6 target gene expression is assessed by qRT-PCR.
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| Cell Assay |
For cellular studies, BCL6-dependent lymphoma cell lines (e.g., DLBCL cell lines) are cultured in appropriate media and treated with BCL6-IN-5 at various concentrations. Cells are incubated for 48-72 hours, and cell viability is assessed using MTT, CellTiter-Glo, or similar assays. IC50 values are calculated from dose-response curves. BCL6 target gene expression is evaluated by qRT-PCR. Apoptosis induction is assessed by caspase-3/7 activity or Annexin V staining.
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| Animal Protocol |
For in vivo efficacy studies, appropriate animal models of B-cell lymphoma would be used. BCL6-IN-5 would be administered via oral or intraperitoneal routes at various doses. Tumor volume would be measured, and body weight monitored for toxicity. BCL6 target gene expression in tumor tissues would be assessed by qRT-PCR. Pharmacokinetic parameters including half-life, clearance, and tissue distribution would be determined. However, detailed in vivo protocols for BCL6-IN-5 have not been extensively reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of BCL6-IN-5 have not been fully characterized in the available literature. The compound has a molecular formula of C17H19Cl2N5O2 and a molecular weight of 396.27. It is a small molecule with potential for oral bioavailability. The compound is typically stored according to manufacturer recommendations. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are needed to fully understand its ADME properties.
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| Toxicity/Toxicokinetics |
BCL6-IN-5 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a potent BCL6 inhibitor with a pIC50 of 5.82, it is used in cancer research for studying BCL6-driven lymphomas. Standard laboratory safety precautions should be followed when handling this compound. The compound is extracted from patent WO2018215801A1.
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| References | |
| Additional Infomation |
BCL6-IN-5 is a potent BCL6 inhibitor with pIC50 of 5.82, molecular formula C17H19Cl2N5O2, and molecular weight 396.27. It is extracted from patent WO2018215801A1, example 1n. The compound is used in cancer research for studying BCL6-driven lymphomas. It is for research use only and has not been approved for clinical applications.
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| Molecular Formula |
C17H19CL2N5O2
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|---|---|
| Molecular Weight |
396.271061182022
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| Exact Mass |
395.091
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| CAS # |
2253878-09-8
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| PubChem CID |
135386935
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
3
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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 |
5
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| Heavy Atom Count |
26
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| Complexity |
523
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CN=C(N=C1NC1C=CC2=C(C=1)N(C(N2C)=O)CCC(C)(C)O)Cl
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| InChi Key |
NKMQWLPBEJJYCN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C17H19Cl2N5O2/c1-17(2,26)6-7-24-13-8-10(4-5-12(13)23(3)16(24)25)21-14-11(18)9-20-15(19)22-14/h4-5,8-9,26H,6-7H2,1-3H3,(H,20,21,22)
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| Chemical Name |
5-[(2,5-dichloropyrimidin-4-yl)amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
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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 : 20.83 mg/mL (52.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.25 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 20.8 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: ≥ 2.08 mg/mL (5.25 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5235 mL | 12.6177 mL | 25.2353 mL | |
| 5 mM | 0.5047 mL | 2.5235 mL | 5.0471 mL | |
| 10 mM | 0.2524 mL | 1.2618 mL | 2.5235 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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