| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| 250mg | |||
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| Targets |
The primary target of KBU2046 is the chaperone heterocomplex, specifically the CDC37/HSP90β heterocomplex. By binding to these complexes, KBU2046 selectively alters the binding of client proteins that regulate cell motility. This mechanism distinguishes it from classical HSP90 inhibitors, which typically induce heat shock protein responses and have broader effects on client protein stability. The compound's selectivity for motility-regulating client proteins allows it to inhibit cancer cell migration and invasion without the toxicities associated with conventional HSP90 inhibition, making it a promising candidate for anti-metastatic therapy.
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| ln Vitro |
KBU2046 inhibits cell motility and invasion in vitro. It binds to chaperone heterocomplexes and selectively modulates chaperone protein interactions that regulate motility. Importantly, the compound lacks all hallmarks of classical HSP90 inhibitors, such as induction of HSP70 expression. This selectivity allows KBU2046 to specifically target metastatic processes without disrupting the broader chaperone functions that are essential for normal cellular homeostasis. The compound's ability to inhibit cell motility without affecting cell viability makes it particularly valuable for studying metastasis mechanisms.
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| ln Vivo |
KBU2046 inhibits cancer metastasis and prolongs lifespan in vivo. It is orally bioactive and effectively suppresses metastatic spread. In murine models of human prostate and breast cancer, KBU2046 has been shown to inhibit cancer metastasis. The compound's oral bioavailability and efficacy in preclinical models support its potential as a therapeutic agent for preventing cancer metastasis. Its ability to extend lifespan in treated animals suggests that inhibition of metastasis translates into meaningful survival benefits.
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| Enzyme Assay |
No specific non-cell assay protocol has been published for KBU2046. As a chaperone heterocomplex binding compound, cell-free assays would typically involve surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to measure direct binding affinity to CDC37/HSP90β complexes. Purified proteins are used with varying compound concentrations to determine binding kinetics and affinity. Additionally, competition binding assays using fluorescently labeled probes could be employed to assess the compound's ability to displace client proteins from the chaperone complex, providing mechanistic insights into its mode of action.
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| Cell Assay |
No specific cell-based assay protocol has been published for KBU2046. For cell motility inhibitors, standard assays include wound healing (scratch) assays and Boyden chamber transwell invasion assays. Cells are treated with compound for 24-48 hours, and migration/invasion is quantified by microscopy or staining. These assays can demonstrate the compound's ability to inhibit cancer cell movement and invasion through extracellular matrix. Additionally, cell viability assays (MTT or CellTiter-Glo) can be performed to confirm that the anti-motility effects are not due to cytotoxicity.
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| Animal Protocol |
No specific in vivo protocol has been published for KBU2046. For metastasis studies, standard models include intravenous injection of cancer cells (e.g., B16-F10 melanoma or 4T1 breast cancer) into mice, followed by oral compound administration for 2-4 weeks. Metastatic colonies in lungs or other organs are quantified at the end of the study. Alternatively, orthotopic models where cancer cells are implanted into the primary organ site can be used to assess both primary tumor growth and metastatic spread. Survival studies may also be conducted to evaluate the compound's effect on lifespan extension.
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| ADME/Pharmacokinetics |
No detailed pharmacokinetic data is publicly available for KBU2046. KBU2046 is described as orally administered and orally bioactive, indicating favorable oral bioavailability. It has a molecular weight of 242.24-242.25 and formula C15H11FO2. The compound is soluble in DMSO at 45 mg/mL (185.77 mM). Powder can be stored at -20°C for 3 years; in solvent at -80°C for 1 year. The compound has a relative density of 1.31 g/cm3. Comprehensive pharmacokinetic studies would be needed to determine absorption, distribution, metabolism, and elimination parameters.
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| Toxicity/Toxicokinetics |
No detailed toxicology data is publicly available for KBU2046. KBU2046 lacks the hallmarks of classical HSP90 inhibitors, suggesting a potentially improved safety profile compared to conventional HSP90-targeting agents. Preclinical toxicology would require standard GLP-compliant studies including acute and repeated-dose toxicity assessments. The compound's selectivity for chaperone complexes involved in motility regulation may contribute to reduced off-target effects. However, comprehensive safety evaluation would be necessary before any clinical application. The compound is for research use only and not for human therapeutic use.
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| References | |
| Additional Infomation |
KBU2046 (3-(4-fluorophenyl)-3,4-dihydro-2H-1-benzopyran-4-one) has a molecular weight of 242.25 and formula C15H11FO2. The SMILES notation is Fc1ccc(cc1)C1COc2ccccc2C1=O. It appears as a white solid. The compound is soluble in DMSO at 45 mg/mL. Powder can be stored at -20°C for 3 years; in solvent at -80°C for 1 year. KBU2046 is also known as a cell motility/invasion inhibitor and is available as a research compound. No clinical trial status has been identified; it is a research tool for studying cancer metastasis and chaperone biology.
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| Molecular Formula |
C15H11FO2
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|---|---|
| Molecular Weight |
242.245047807693
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| Exact Mass |
242.074
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| CAS # |
1143863-69-7
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| PubChem CID |
25227426
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| Appearance |
White to off-white solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
18
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| Complexity |
310
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC1C=CC(=CC=1)C1C(C2C=CC=CC=2OC1)=O
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| InChi Key |
XKAFGKFIJBGYAP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11FO2/c16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17/h1-8,13H,9H2
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| Chemical Name |
3-(4-fluorophenyl)-2,3-dihydrochromen-4-one
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| Synonyms |
KBU 2046; KBU-2046; KBU2046
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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 : ~50 mg/mL (~206.40 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.32 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 25.0 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (10.32 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 25.0 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 | 4.1280 mL | 20.6398 mL | 41.2797 mL | |
| 5 mM | 0.8256 mL | 4.1280 mL | 8.2559 mL | |
| 10 mM | 0.4128 mL | 2.0640 mL | 4.1280 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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