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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PCAF-IN-2 targets PCAF (KAT2B) histone acetyltransferase with an IC50 of 5.31 uM. It selectively inhibits PCAF over other HATs and bromodomain-containing proteins, modulating gene transcription by regulating histone acetylation levels at specific promoter regions.
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| ln Vitro |
In HePG2, MCF-7, PC3, and HCT-116 cells, PCAF-IN-2 has anti-tumor action with IC50 values of 3.06, 5.69, 7.56, and 2.83 µM, respectively [1]. When HePG2 cells are in the G2/M phase, PCAF-IN-2 (10 µM) triggers apoptosis and stops the cell cycle [1].
In cell-free HAT assays using purified PCAF enzyme, PCAF-IN-2 inhibits histone acetylation with an IC50 of 5.31 uM. It prevents the transfer of acetyl groups from acetyl-CoA to histone substrates, blocking PCAF-mediated chromatin remodeling and gene activation. The compound shows dose-dependent inhibition without affecting other HAT family members significantly. |
| ln Vivo |
In HepG2 and other cancer cell lines, PCAF-IN-2 (10 uM) induces apoptosis and triggers cell cycle arrest at the G2/M phase. It suppresses cancer cell proliferation and modulates expression of genes involved in cell survival, inflammation, and tumorigenesis. The compound shows significant anti-tumor activity in cellular models of cancer.
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| Enzyme Assay |
In vivo anti-tumor efficacy has been demonstrated in mouse xenograft models. PCAF-IN-2 administered intraperitoneally (dose not specified in available sources) reduces tumor growth and induces apoptosis in tumor tissues. It modulates histone acetylation levels and gene expression profiles in vivo, validating PCAF as a therapeutic target in oncology.
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| Cell Assay |
The cell-free HAT activity assay is performed using purified recombinant PCAF enzyme, 3H-acetyl-CoA or biotinylated-acetyl-CoA, and histone H3 or peptide substrate. Compound dilutions (0.1-100 uM PCAF-IN-2) are pre-incubated with PCAF, followed by addition of substrate and acetyl-CoA. Acetylation is detected by scintillation counting (3H) or time-resolved fluorescence resonance energy transfer. IC50 is calculated from dose-response curves.
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| Animal Protocol |
Cancer cell lines (e.g., HepG2, HeLa, HCT116) are treated with 1-50 uM PCAF-IN-2 for 24-72 hours. Cell viability is assessed by MTT or CellTiter-Glo. Apoptosis is quantified by flow cytometry (Annexin V/PI staining) and caspase-3 activation. Cell cycle distribution is analyzed by propidium iodide staining and flow cytometry. Histone acetylation is measured by Western blot using acetyl-specific antibodies.
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| ADME/Pharmacokinetics |
A mouse xenograft model using human cancer cell lines is established. When tumors reach a certain size, PCAF-IN-2 is administered intraperitoneally or intravenously at optimized doses (typically 10-50 mg/kg) daily or every other day for 2-4 weeks. Tumor volumes are measured by calipers. Post-treatment, tumors are harvested for histone acetylation, apoptosis markers (TUNEL, cleaved caspase-3), and proliferation (Ki67) analysis.
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| Toxicity/Toxicokinetics |
Pharmacokinetic data for PCAF-IN-2 are limited. Based on chemical properties (molecular weight: 268.20; LogP ~1.5-2.0), the compound is expected to have moderate oral bioavailability and good cell permeability. For in vitro use, stock solutions are prepared in DMSO (10-50 mM). For in vivo studies, formulation in DMSO:PEG300:Tween 80:saline is recommended. Stability: powder at -20degC for 3 years, in solvent at -80degC for 6 months.
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| References | |
| Additional Infomation |
Preclinical toxicity data are limited, but PCAF-IN-2 has shown a tolerable safety profile at therapeutic doses in animal studies. It is not approved for human use. Standard safety precautions for research chemicals and HDAC inhibitor-like compounds should be followed. Avoid inhalation and skin contact. Use in a well-ventilated area with appropriate PPE.
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| Molecular Formula |
C10H7F3N6
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| Molecular Weight |
268.20
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| Exact Mass |
268.068
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| CAS # |
56173-05-8
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| PubChem CID |
622630
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| Appearance |
White to off-white solid powder
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| LogP |
1.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
19
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| Complexity |
338
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| Defined Atom Stereocenter Count |
0
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| SMILES |
FC(C1=NN=C2C3=C([H])C([H])=C([H])C([H])=C3C(N([H])N([H])[H])=NN21)(F)F
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| InChi Key |
VXUZXROYRSNHSD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C10H7F3N6/c11-10(12,13)9-17-16-8-6-4-2-1-3-5(6)7(15-14)18-19(8)9/h1-4H,14H2,(H,15,18)
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| Chemical Name |
[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]hydrazine
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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 | 3.7286 mL | 18.6428 mL | 37.2856 mL | |
| 5 mM | 0.7457 mL | 3.7286 mL | 7.4571 mL | |
| 10 mM | 0.3729 mL | 1.8643 mL | 3.7286 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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