| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg | |||
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| Other Sizes |
| Targets |
PBIT targets the Jumonji AT-rich Interactive Domain 1 (JARID1) family of histone demethylases, which includes JARID1A (KDM5A), JARID1B (KDM5B/PLU1), and JARID1C (KDM5C). These enzymes demethylate lysine 4 of histone H3 (H3K4), a mark associated with active transcription. PBIT inhibits JARID1B with an IC50 of ~3 μM and also inhibits JARID1A and JARID1C.
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|---|---|
| ln Vitro |
As a count of JARID1B levels, PBIT (1-10 μM for UACC-812 cells, 2.5-10 μM for MCF7 and MCF10A cells; 72 hours) inhibits apoptosis[1].
In vitro, PBIT inhibits JARID1B (KDM5B) histone demethylase with an IC50 of approximately 3 μM. It also inhibits JARID1A and JARID1C with IC50s of 6 μM and 4.9 μM, respectively. By inhibiting H3K4 demethylation, PBIT alters chromatin structure and gene expression, making it a valuable tool for studying epigenetic regulation in cancer and development. |
| ln Vivo |
In vivo activity data for PBIT (CAS 2514-30-9) are not extensively detailed in the available literature. As a JARID1 family inhibitor that modulates H3K4 methylation, the compound would be expected to affect gene expression programs involved in cell proliferation, differentiation, and cancer progression. Specific in vivo efficacy data are not reported.
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| Enzyme Assay |
Specific cell-free enzyme/receptor binding assay protocols for PBIT involve histone demethylase activity assays using purified recombinant JARID1 enzymes. Enzyme activity is measured by detecting demethylation of H3K4-methylated peptide substrates using mass spectrometry or fluorescence-based assays. IC50 values are determined for JARID1A, JARID1B, and JARID1C.
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| Cell Assay |
Cell proliferation assay[1]
Cell Types: human breast Cancer cell lines (UACC-812 and MCF7) and human mammary epithelial cells (MCF10A) Tested Concentrations: 1, 3 and 10 μM for UACC-812 cells; 2.5, 5 and 10 μM for MCF7 and MCF10A cells Incubation Duration: 72 hrs (hours) Experimental Results: Inhibition of cell proliferation in a JARID1B level-dependent manner. 10 μM can kill most UACC-812 cells but has minimal toxicity to MCF7 cells and MCF10A cells. In vitro cell-based assays for PBIT use cancer cell lines to assess inhibition of JARID1 histone demethylase activity. Cells are treated with PBIT, and H3K4 methylation levels are assessed by Western blot using specific antibodies (e.g., anti-H3K4me3, anti-H3K4me2). Effects on cell proliferation, gene expression, and differentiation are evaluated. |
| Animal Protocol |
In vivo animal studies for PBIT are not detailed in the available literature. As a JARID1 inhibitor, typical in vivo evaluation would involve xenograft mouse models to assess antitumor efficacy. Tumor-bearing mice would be treated with PBIT, and tumor growth inhibition and H3K4 methylation levels would be monitored.
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| ADME/Pharmacokinetics |
PBIT (CAS 2514-30-9) has a molecular formula of C14H11NOS and a molecular weight of 241.31 g/mol. The IUPAC name is 2-(p-tolyl)benzo[d]isothiazol-3(2H)-one. It is soluble in DMSO (up to 24 mg/ml) and ethanol (up to 5 mg/ml). Purity is typically ≥95%. Storage: at -20°C, protected from light.
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| Toxicity/Toxicokinetics |
Specific toxicological data for PBIT are not detailed in the available literature. The compound is classified for research use only and is not intended for human therapeutic applications. As a JARID1 inhibitor that modulates histone methylation, potential toxicities may relate to epigenetic effects on gene expression.
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| References | |
| Additional Infomation |
PBIT (CAS 2514-30-9) is a specific inhibitor of the JARID1 family of histone demethylases, inhibiting JARID1B with an IC50 of ~3 μM, JARID1A with 6 μM, and JARID1C with 4.9 μM. It is used in epigenetic research to study H3K4 methylation and gene regulation. No clinical trial or approved indication data are available.
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| Molecular Formula |
C14H11NOS
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|---|---|
| Molecular Weight |
241.30824
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| Exact Mass |
241.056
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| CAS # |
2514-30-9
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| Related CAS # |
2514-30-9;
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| PubChem CID |
935415
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| Appearance |
Off-white to brown solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
418.2±38.0 °C at 760 mmHg
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| Flash Point |
206.7±26.8 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.680
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| LogP |
3.73
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
17
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| Complexity |
299
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
KRXMYBAZKJBJAB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
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| Chemical Name |
2-(4-methylphenyl)-1,2-benzothiazol-3-one
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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 : ~50 mg/mL (~207.20 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: 2.5 mg/mL (10.36 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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 | 4.1440 mL | 20.7202 mL | 41.4405 mL | |
| 5 mM | 0.8288 mL | 4.1440 mL | 8.2881 mL | |
| 10 mM | 0.4144 mL | 2.0720 mL | 4.1440 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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