BAZ2-ICR is a potent, selective, cellular and orally bioactive BAZ2A/B bromodomain inhibitor (antagonist) with IC50 of 130 nM and 180 nM, respectively, and Kd of 109 nM and 170 nM, respectively. BAZ2-ICR binds BAZ2A/B with 10-15 times higher selectivity than CECR2 and more than 100 times higher than other bromodomains. BAZ2-ICR is an epigenetic chemical probe.

Physicochemical Properties

Molecular Formula	C20H19N7
Molecular Weight	357.41
Exact Mass	357.17
CAS #	1665195-94-7
PubChem CID	91654625
Appearance	Off-white to light yellow solid powder
Density	1.3±0.1 g/cm3
Boiling Point	632.8±55.0 °C at 760 mmHg
Flash Point	336.5±31.5 °C
Vapour Pressure	0.0±1.9 mmHg at 25°C
Index of Refraction	1.685
LogP	2.06
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	538
Defined Atom Stereocenter Count	0
InChi Key	RRZVGDGTWNQAPW-UHFFFAOYSA-N
InChi Code	InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
Chemical Name	4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile
Synonyms	BAZ2-ICR BAZ2 ICR BAZ2ICR
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	Using GFP-tagged BAZ2A full-length protein transfected into human osteosarcoma cells (U2OS), the fluorescence recovery after photobleaching (FRAP) test was used to examine whether BAZ2-ICR (compound 13) may substitute the BAZ2 bromodomain in the chromatin of living cells. ..It was confirmed that BAZ2-ICR inhibits BAZ2A in cells when 1 μM BAZ2-ICR reduced the recovery time of the wild-type (wt) construct to a level comparable to that of the dominant-negative mutant [1].
ln Vivo	BAZ2-ICR (chemical 13) exhibits both oral and intravenous delivery due to its very high solubility (25 mM in DO), observed log D of 1.05, great stability in mouse microsomes, and permeability in the CaCo-2 model. BAZ2-ICR (5 mg/kg) has a volume of distribution of 70% and a modest clearance (about 50% of mouse liver blood flow) [1].
References	[1]. Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B. J Med Chem. 2015 Mar 12;58(5):2553-9.

Solubility Data

Solubility (In Vitro)

DMF : 20 mg/mL (~55.96 mM) DMSO : ~10 mg/mL (~27.98 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.99 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 (6.99 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 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.99 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.7979 mL	13.9895 mL	27.9791 mL
	5 mM	0.5596 mL	2.7979 mL	5.5958 mL
	10 mM	0.2798 mL	1.3990 mL	2.7979 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.