| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PU.1[1]
PU.1 (myeloid master regulator transcription factor), which plays a critical role in hematopoietic cell differentiation and is implicated in certain leukemias when dysregulated. |
|---|---|
| ln Vitro |
DB2115 is a potent inhibitor of PU.1. While specific IC₅0 values in cellular assays for this compound are not detailed in the provided text, the patent literature (WO2017223260A1) describes it as a potent inhibitor. It is being explored for the research of cancers, particularly hematological malignancies such as leukemia.
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| ln Vivo |
Specific in vivo activity data for DB2115 tertahydrochloride is not provided in the search results. However, as a research tool for PU.1-driven diseases, it is expected to be used in animal models of leukemia or inflammation to evaluate its ability to modulate disease progression by inhibiting PU.1 target gene expression.
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| Enzyme Assay |
The specific non-cellular binding assays used to characterize DB2115 are not detailed. A typical approach for a transcription factor inhibitor is a biochemical assay, such as an AlphaScreen or a DNA-binding ELISA. In such an assay, purified PU.1 protein is incubated with its consensus DNA sequence, and the compound's ability to disrupt this protein-DNA interaction is measured. This would provide a direct IC₅0 value for binding inhibition.
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| Cell Assay |
Specific details on the in vitro cell-based assays are not provided. A standard cellular protocol for a compound like this would involve treating PU.1-dependent leukemia cell lines with varying concentrations of DB2115. Cell viability would be assessed using a CCK-8 or MTT assay to determine the anti-proliferative effect. Additionally, the inhibition of PU.1's transcriptional activity could be measured by quantifying its target gene expression using RT-qPCR (e.g., for genes like CSF1R).
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| Animal Protocol |
Information on specific in vivo animal experimental protocols is unavailable. A typical study for a lead compound might involve establishing a xenograft mouse model with PU.1-expressing leukemia cells. Once tumors are established, the compound would be administered (e.g., via intraperitoneal injection) daily. The primary outcome measures would include tumor volume reduction, analysis of PU.1 target gene expression in the tumor, and overall survival of the treated animals compared to a vehicle control group.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic (PK) data for DB2115 tertahydrochloride is not provided. Given its salt form, the compound is designed to have improved solubility, which is often a prerequisite for favorable oral bioavailability and other PK parameters. These properties would be determined in standard PK studies.
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| Toxicity/Toxicokinetics |
No specific toxicity information is available. Toxicity, including the maximum tolerated dose (MTD) and target organ effects, is a necessary part of the preclinical evaluation of any novel therapeutic agent and would be assessed in animal models before any potential advancement.
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| References |
[1]. W. David Wilson, et al. Pu.1 inhibitors. Patent WO2017223260A1.
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| Additional Infomation |
DB2115 inhibits PU.1, a transcription factor often considered "undruggable" using conventional small molecules. This makes it a significant chemical probe. The tetrahydrochloride salt form (·4HCl) indicates it is a water-soluble form for in vivo administration. The compound is currently an investigational tool and is not approved by any regulatory agency for clinical use.
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| Molecular Formula |
C32H34CL4N8O2
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|---|---|
| Molecular Weight |
704.48
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| Exact Mass |
704.152
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| CAS # |
1366126-19-3
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| PubChem CID |
162642784
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| Appearance |
Typically exists as solid at room temperature
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| Hydrogen Bond Donor Count |
10
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
46
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| Complexity |
833
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=N)N)OCCCCOC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=N)N.Cl.Cl.Cl.Cl
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| InChi Key |
ADRCMNUIKDHGQW-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C32H30N8O2.4ClH/c33-29(34)21-7-13-25-27(17-21)39-31(37-25)19-3-9-23(10-4-19)41-15-1-2-16-42-24-11-5-20(6-12-24)32-38-26-14-8-22(30(35)36)18-28(26)40-32;;;;/h3-14,17-18H,1-2,15-16H2,(H3,33,34)(H3,35,36)(H,37,39)(H,38,40);4*1H
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| Chemical Name |
2-[4-[4-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenoxy]butoxy]phenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
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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) |
DMSO : 15.85 mg/mL (22.50 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1 mg/mL (1.42 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (1.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.4195 mL | 7.0974 mL | 14.1949 mL | |
| 5 mM | 0.2839 mL | 1.4195 mL | 2.8390 mL | |
| 10 mM | 0.1419 mL | 0.7097 mL | 1.4195 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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