| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
PK095 targets the protein-protein interaction between PHD finger protein 3 (PHF3) and histone deacetylases (HDACs). By disrupting this interaction, the compound modulates epigenetic regulation. It is also described as a p53 mutant stabilizer. The compound is a proprietary compound in the guanidine-based F1F0-ATPase inhibitor family. Additionally, PK095 is an apoptosis-related compound.
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| ln Vitro |
In cell-free biochemical systems, PK095 disrupts the PHF3-HDAC protein-protein interaction. This activity modulates the epigenetic regulation of gene expression. The compound also stabilizes p53 mutants, which may contribute to its anticancer effects. PK095 has shown promise in targeting cancer cells, particularly in solid tumors. As an apoptosis-related compound, it is involved in cell death pathways.
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| ln Vivo |
In cell-based assays, PK095 inhibits tumor growth and induces cell cycle arrest. It has shown promise in targeting cancer cells, particularly in solid tumors. The compound's ability to stabilize p53 mutants may restore p53 function in cancer cells. PK095 may also have applications in neurological diseases and other conditions associated with aberrant epigenetic regulation.
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| Enzyme Assay |
The cell-free assay for PK095 involves measuring the inhibition of the PHF3-HDAC protein-protein interaction. This can be assessed using techniques such as fluorescence polarization, AlphaScreen, or surface plasmon resonance (SPR) to quantify the binding disruption. The compound is incubated with purified PHF3 and HDAC proteins at various concentrations. The IC50 for disrupting the interaction is determined from dose-response curves. The compound's ability to modulate epigenetic regulation can be assessed by measuring histone acetylation levels in cell-free systems using ELISA or Western blotting.
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| Cell Assay |
Cell-based assays for PK095 typically involve culturing cancer cell lines and treating them with the compound at concentrations ranging from 0.1 to 100 μM. Cells are incubated for 24-72 hours, and cell viability is assessed using MTT, CCK-8, or ATP-based luminescence assays. The effect on cell cycle progression is analyzed by flow cytometry. The compound's effects on histone acetylation and gene expression are assessed by Western blotting and qRT-PCR. Apoptosis is evaluated by Annexin V staining or caspase activity assays.
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| Animal Protocol |
In animal models, PK095 has been evaluated for its ability to inhibit tumor growth. Typical studies involve administration of the compound to tumor-bearing mice via intraperitoneal or oral routes at doses determined from toxicity studies. Tumor volumes are measured, and tissues are collected for analysis of PHF3-HDAC interaction disruption, histone acetylation, cell cycle markers, and apoptosis biomarkers. Efficacy is evaluated in models of solid tumors and potentially other diseases associated with aberrant epigenetic regulation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of PK095 have not been extensively reported. As a small molecule with a molecular weight of 378.45 g/mol and moderate lipophilicity, the compound is expected to have reasonable oral bioavailability and tissue penetration. The compound is soluble in DMSO. Further pharmacokinetic studies would be required to determine plasma half-life, clearance, volume of distribution, and metabolic pathways. The compound's ability to cross the blood-brain barrier may be relevant for neurological applications.
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| Toxicity/Toxicokinetics |
PK095 is intended for research use only and lacks established toxicity profiles for therapeutic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent. As an epigenetic modulator and apoptosis inducer, the compound may have effects on normal cells as well as cancer cells. Standard toxicity studies in rodents would be required to determine the maximum tolerated dose, target organ toxicity, and safety profile if therapeutic development is pursued.
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| References | |
| Additional Infomation |
PK095 is a research-grade compound supplied for cancer research and epigenetic studies. It is not an approved pharmaceutical and has no clinical trial history. The compound is typically stored at -20°C under desiccated conditions. Purity specifications generally exceed 95%. PK095 may have applications in neurological diseases and other conditions associated with aberrant epigenetic regulation. This product is intended for research use only and is not for human or veterinary therapeutic applications.
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| Molecular Formula |
C20H18N4O2S
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|---|---|
| Molecular Weight |
378.447522640228
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| Exact Mass |
378.115
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| CAS # |
380314-37-4
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| PubChem CID |
2362080
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| Appearance |
White to off-white solid powder
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| LogP |
2.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
650
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NC1=CC2C3=C(N(CC)C=2C=C1)C=CC=C3)(=O)CSC1NC(=O)C=CN=1
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| InChi Key |
ALEUTTNIZDFZSP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18N4O2S/c1-2-24-16-6-4-3-5-14(16)15-11-13(7-8-17(15)24)22-19(26)12-27-20-21-10-9-18(25)23-20/h3-11H,2,12H2,1H3,(H,22,26)(H,21,23,25)
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| Chemical Name |
N-(9-ethylcarbazol-3-yl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
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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 | 2.6424 mL | 13.2118 mL | 26.4236 mL | |
| 5 mM | 0.5285 mL | 2.6424 mL | 5.2847 mL | |
| 10 mM | 0.2642 mL | 1.3212 mL | 2.6424 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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