| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| Targets |
PCAF (p300/CBP-associated factor). PCAF-IN-1 is a highly selective inhibitor of the histone acetyltransferase PCAF. By inhibiting PCAF, the compound can reduce cardiac remodeling after myocardial infarction, decrease M1-type macrophage polarization, and attenuate autoimmune arthritis. PCAF-IN-1 shows potential anti-tumor, anti-inflammatory, and anti-heart disease effects.
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|---|---|
| ln Vitro |
The compound 32, PCAF-IN-1, (10 μM, 72 hours; human tumor cell lines), has the strongest antitumor effect on human cancer cell lines [1].
PCAF-IN-1 (10 microM, 72 hours) exhibits potent anti-tumor activity against a panel of human cancer cell lines. IC50 values: HePG-2 (liver, 4.89 microM), MCF-7 (breast, 6.18 microM), PC3 (prostate, 9.71 microM), and HCT-116 (colorectal, 3.76 microM). The compound induces apoptosis in cancer cells through PCAF inhibition. |
| ln Vivo |
No detailed in vivo activity data for PCAF-IN-1 are provided in the reference sources. Based on the proposed mechanism, in vivo studies would likely involve xenograft mouse models of cancer (e.g., HCT-116 xenografts) with daily oral or intraperitoneal administration of PCAF-IN-1, or models of myocardial infarction and autoimmune arthritis.
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| Enzyme Assay |
Not explicitly detailed in reference sources. A typical PCAF enzymatic assay involves incubating recombinant PCAF with acetyl-CoA and a biotinylated histone H3 peptide substrate. After adding PCAF-IN-1, the reaction is stopped, and histone acetylation is detected using an anti-acetyl-lysine antibody in an ELISA or TR-FRET format.
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| Cell Assay |
Cytotoxicity assay[1]
Cell Types: hepatocellular carcinoma (HePG-2), breast cancer (MCF-7), prostate cancer (PC3) and colorectal cancer (HCT-116). Tested Concentrations: 10 μM Incubation Duration: 72 hrs (hours) Experimental Results: HePG-2, MCF-7, PC3 and HCT-116 were inhibited with IC50 values of 4.89, 6.18, 9.71 and 3.76 μM respectively. Cell viability is measured using the MTT assay. HePG-2, MCF-7, PC3, and HCT-116 cells are seeded in 96-well plates and treated with PCAF-IN-1 at a concentration of 10 microM for 72 hours. After treatment, MTT reagent is added to each well, and absorbance is measured at 570 nm. IC50 values are calculated from dose-response curves (0-50 microM). |
| Animal Protocol |
No in vivo animal experimental protocols for PCAF-IN-1 are provided in the reference sources. Typical in vivo studies for PCAF inhibitors would involve subcutaneous injection of HCT-116 or HePG-2 cells into nude mice, establishing tumors, and then administering PCAF-IN-1 daily by oral gavage or intraperitoneal injection for 2-4 weeks, monitoring tumor volume and body weight.
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| ADME/Pharmacokinetics |
Not explicitly detailed in reference sources. PCAF-IN-1 has a molecular weight of 310.74 and formula C15H11ClN6. It has low aqueous solubility and limited DMSO solubility (~0.5 mg/mL). For in vivo studies, it can be formulated using DMSO, Tween 80, and saline or other solubilizers to achieve injectable concentrations. Storage should be at -20degC as powder or in solution.
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| Toxicity/Toxicokinetics |
No detailed toxicity data for PCAF-IN-1 are provided in the reference sources. As with all research compounds, standard safety precautions should be followed. The compound is for research use only and not intended for human therapeutic use. Toxicity assessments in animal models would require further studies.
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| References |
[1]. Turky A, et al. Design, synthesis, and antitumor activity of novel compounds based on 1,2,4-triazolophthalazine scaffold: Apoptosis-inductive and PCAF-inhibitory effects. Bioorg Chem. 2020 Aug;101:104019.
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| Additional Infomation |
PCAF-IN-1 is a research compound not yet approved for clinical use. It is a valuable tool for studying PCAF function in cancer, inflammation, and cardiac diseases. The compound demonstrates selectivity for PCAF over other histone acetyltransferases and shows anti-tumor activity across multiple cancer cell lines. Further preclinical development is needed to assess in vivo efficacy and safety.
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| Molecular Formula |
C15H11CLN6
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|---|---|
| Molecular Weight |
310.741040468216
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| Exact Mass |
310.073
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| CAS # |
2439194-86-0
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| PubChem CID |
164517122
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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 |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
22
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| Complexity |
388
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C12=NN=C(C3=CC=C(Cl)C=C3)N1N=C(NN)C1=C2C=CC=C1
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| InChi Key |
DXGDDBPXRDYXCP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H11ClN6/c16-10-7-5-9(6-8-10)14-19-20-15-12-4-2-1-3-11(12)13(18-17)21-22(14)15/h1-8H,17H2,(H,18,21)
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| Chemical Name |
[3-(4-chlorophenyl)-[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) |
DMSO : ~0.5 mg/mL (~1.61 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (3.22 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% 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 DMSO stock solution (10.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1 mg/mL (3.22 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 DMSO stock solution (10.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2181 mL | 16.0906 mL | 32.1812 mL | |
| 5 mM | 0.6436 mL | 3.2181 mL | 6.4362 mL | |
| 10 mM | 0.3218 mL | 1.6091 mL | 3.2181 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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