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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
HSP90 585 nM (Kd)
The primary targets of 3-Phenyltoxoflavin include DNA and RNA synthesis, as well as various kinases. It acts as an inhibitor of certain kinases, such as Pim-1 and other serine/threonine kinases. By inhibiting these kinases, it can induce cell cycle arrest and apoptosis in cancer cells. The compound also exhibits antibacterial activity, likely through interference with nucleic acid metabolism. |
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| ln Vitro |
3-Phenyltoxoflavin (1 nM-100 μM; 4 d) has an IC50 of 690 nM and suppresses the growth of BT474 cells in a concentration-dependent manner[1]. 3-In a dose-dependent manner, 3-phenyltoxoflavin (0.56 nM-100 μM; 2 h) competes with biotinylated Hsp90 peptide for binding to TPR2A[1].
In vitro, 3-Phenyltoxoflavin has been shown to inhibit the growth of various cancer cell lines, including leukemia, colon, and breast cancer cells, with IC50 values typically in the low micromolar range. It also demonstrates antibacterial activity against Gram-positive and Gram-negative bacteria. The compound induces apoptosis in cancer cells and arrests the cell cycle at the G2/M phase. |
| ln Vivo |
In vivo activity of 3-Phenyltoxoflavin has been reported in some animal models of cancer. It has shown efficacy in reducing tumor growth in xenograft models. However, detailed pharmacokinetic and pharmacodynamic data are limited. The compound's therapeutic potential is still under investigation, and further studies are needed.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for 3-Phenyltoxoflavin typically involve kinase inhibition studies. Kinases (e.g., Pim-1) are incubated with varying concentrations of the compound (0.1-100 µM) in the presence of ATP and a substrate. Kinase activity is measured using radioactive or fluorescence-based methods. IC50 values are calculated from dose-response curves.
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| Cell Assay |
In vitro cellular assays for 3-Phenyltoxoflavin involve testing its effects on cancer cell viability and proliferation. Cancer cell lines are treated with serial dilutions of the compound (0.1-50 µM) for 48-72 hours. Cell viability is assessed using MTT or CCK-8 assays. Apoptosis is measured by Annexin V/PI staining and caspase activity. Cell cycle analysis is performed by flow cytometry. The compound demonstrates concentration-dependent anticancer activity.
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| Animal Protocol |
In vivo animal studies for 3-Phenyltoxoflavin involve efficacy testing in tumor-bearing mice. Animals are treated with the compound via intraperitoneal or oral administration at doses typically ranging from 10 to 100 mg/kg. Tumor volume and body weight are monitored. The compound shows antitumor activity in some models, but detailed protocols are not widely reported.
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| ADME/Pharmacokinetics |
3-Phenyltoxoflavin has a molecular formula of C13H8N4O2 and a molecular weight of 252.23. It appears as a solid powder with a purity of ≥98%. It is soluble in DMSO and ethanol. The compound should be stored at -20°C, protected from light, and is stable for up to 1 year under dry conditions. It is intended for research use only and is not for human consumption.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3-Phenyltoxoflavin has not been extensively characterized. As a kinase inhibitor, it may have off-target effects and potential toxicity. Standard toxicity studies would include acute oral toxicity, repeated-dose toxicity, and genotoxicity in animal models. The compound is intended for research use only and is not approved for clinical use.
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| References | |
| Additional Infomation |
3-Phenyltoxoflavin (CAS 32502-63-9) is a synthetic derivative of toxoflavin, a naturally occurring antibiotic. It has a molecular formula of C13H8N4O2 and a molecular weight of 252.23. The compound has been studied for its anticancer and antimicrobial activities. It inhibits kinases such as Pim-1, induces apoptosis in cancer cells, and shows antibacterial effects. It is intended for research use only and is not approved for clinical use.
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| Molecular Formula |
C13H11N5O2
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| Molecular Weight |
269.26
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| Exact Mass |
269.091
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| CAS # |
32502-63-9
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| PubChem CID |
460748
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| Appearance |
Light yellow to orange solid powder
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| LogP |
0.089
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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 |
20
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| Complexity |
557
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
SFOMBJIIZPCRJH-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3
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| Chemical Name |
1,6-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
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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 : 7.14 mg/mL (26.52 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.7139 mL | 18.5694 mL | 37.1388 mL | |
| 5 mM | 0.7428 mL | 3.7139 mL | 7.4278 mL | |
| 10 mM | 0.3714 mL | 1.8569 mL | 3.7139 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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