| 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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| 500mg |
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| Other Sizes |
| Targets |
3-Pyridine toxoflavin targets PIN1, a peptidyl-prolyl cis-trans isomerase that regulates protein folding and function by catalyzing the cis-trans isomerization of proline residues. PIN1 is involved in various cellular processes, including cell cycle progression and proliferation. It also targets KDM4C, a histone demethylase. By inhibiting PIN1, the compound disrupts these critical cellular functions, making it a potential tool for studying proliferative diseases.
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| ln Vitro |
PIN1 was screened using high-throughput screening (HTS) with 3-pyridine toxoflavin at an average effectiveness of 25 μM and an inhibition rate of 48% [1]..
In vitro, 3-Pyridine toxoflavin has been shown to be a potent KDM4C inhibitor with an IC50 of 19 nM. It also inhibits PIN1, with a reported average potency of 25 μM and an inhibition rate of 48% in high-throughput screening (HTS) assays. Its activity is typically assessed using biochemical assays that measure the isomerase activity of PIN1 or the demethylase activity of KDM4C. The compound's dual inhibitory profile makes it a valuable research tool. |
| ln Vivo |
In vivo activity of 3-Pyridine toxoflavin is not extensively documented in the available literature. As a PIN1 and KDM4C inhibitor, its efficacy would be evaluated in animal models of immune disease proliferative disorders. Such studies would involve administering the compound to disease-model animals and monitoring disease progression, immune cell proliferation, or other relevant biomarkers.
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| Enzyme Assay |
Cell-free assays for 3-Pyridine toxoflavin typically involve measuring its inhibitory activity against PIN1 or KDM4C. For PIN1, assays measure the compound's ability to inhibit the isomerization of a peptide substrate. For KDM4C, assays measure the inhibition of histone demethylase activity. The IC50 values are determined by measuring activity in the presence of varying concentrations of the inhibitor. These assays are crucial for characterizing the compound's potency and selectivity.
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| Cell Assay |
In vitro cellular assays are conducted to evaluate the functional activity of 3-Pyridine toxoflavin in cells. Cells are treated with the compound, and the effects on cell proliferation, cell cycle progression, and gene expression are measured. The inhibition of PIN1 or KDM4C is confirmed by assessing the levels of their downstream targets or by measuring the isomerization or demethylation activity in cell lysates. These assays are used to study the role of PIN1 and KDM4C in cellular processes.
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| Animal Protocol |
In vivo animal experiments are not typically detailed for 3-Pyridine toxoflavin in the available literature. However, to study its in vivo efficacy, researchers would use animal models of immune disease proliferative disorders. Animals would be administered the compound, and disease progression, immune cell populations, or other relevant biomarkers would be monitored to assess its therapeutic potential.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of 3-Pyridine toxoflavin are typical of a small molecule inhibitor. Its molecular weight is 270.25. While detailed PK parameters are not widely published, its properties suggest it is designed to have favorable drug-like characteristics to support efficacy in vivo. It is intended for research use only.
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| Toxicity/Toxicokinetics |
The toxicity profile of 3-Pyridine toxoflavin is not extensively documented. As a research compound, standard safety precautions should be taken when handling it. Its use is restricted to research purposes and it is not intended for human consumption. Preclinical studies would be required to assess its safety profile in vivo.
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| References | |
| Additional Infomation |
3-Pyridine toxoflavin is a research compound that inhibits both PIN1 and KDM4C. It has potential applications in studying immune disease proliferative disorders. Its dual inhibitory profile makes it a valuable tool for investigating the roles of these two enzymes in disease. The compound is not approved for therapeutic use.
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| Molecular Formula |
C12H10N6O2
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|---|---|
| Molecular Weight |
270.246800899506
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| Exact Mass |
270.086
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| CAS # |
32502-20-8
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| PubChem CID |
777227
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
-0.1
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
20
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| Complexity |
558
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=NC=C3)C
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| InChi Key |
SYAZUOOOZFIYOB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-3-5-13-6-4-7/h3-6H,1-2H3
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| Chemical Name |
1,6-dimethyl-3-pyridin-4-ylpyrimido[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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 3.7003 mL | 18.5014 mL | 37.0028 mL | |
| 5 mM | 0.7401 mL | 3.7003 mL | 7.4006 mL | |
| 10 mM | 0.3700 mL | 1.8501 mL | 3.7003 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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