PBIT is a specific Jumonji/AT enriched interacting domain 1 (JARID1) inhibitor. PBIT inhibits JARID1B (KDM5B or PLU1) histone demethylase with IC50 of about 3 μM. PBIT also inhibits JARID1A and JARID1C with IC50 of 6 μM and 4.9 μM, respectively.

Physicochemical Properties

Molecular Formula	C14H11NOS
Molecular Weight	241.30824
Exact Mass	241.056
CAS #	2514-30-9
Related CAS #	2514-30-9;
PubChem CID	935415
Appearance	Off-white to brown solid powder
Density	1.3±0.1 g/cm3
Boiling Point	418.2±38.0 °C at 760 mmHg
Flash Point	206.7±26.8 °C
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.680
LogP	3.73
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Complexity	299
Defined Atom Stereocenter Count	0
InChi Key	KRXMYBAZKJBJAB-UHFFFAOYSA-N
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
Chemical Name	2-(4-methylphenyl)-1,2-benzothiazol-3-one
HS Tariff Code	2934.99.9001
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)

Biological Activity

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].
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.
References	[1]. Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. J Biol Chem. 2013 Mar 29;288(13):9408-17.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~207.20 mM)

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.