PBRM1-BD2-IN-8 (compound 34) is a potent PBRM1 Bromodomain inhibitor (PBRM1-BD2 Kd=4.4 μM, PBRM1-BD2 IC50=0.16 μM; PBRM1-BD5 Kd=25 μM), which has anti- cancer activity.

Physicochemical Properties

Molecular Formula	C15H13BRN2O
Molecular Weight	317.180522680283
Exact Mass	316.021
CAS #	2819989-75-6
PubChem CID	164880766
Appearance	Off-white to light yellow solid powder
LogP	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Complexity	349
Defined Atom Stereocenter Count	0
SMILES	N1C2=C(C(Br)=CC=C2)C(=O)NC1C1=CC=CC(C)=C1
InChi Key	PXWIXTCIXZCREB-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
Chemical Name	5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-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

Targets	IC50: 0.16 μM (PBRM1-BD2)[1]
ln Vitro	PBRM1-BD2-IN-8 (0-100 μM; 48 h) prevents prostate cancer cells dependent on PBRM1 from growing[1].
Cell Assay	Cell Viability Assay[1] Cell Types: LNCaP cells Tested Concentrations: 0-100 μM Incubation Duration: 48 hrs (hours) Experimental Results: Inhibited the growth of LNCaP cells with IC50 value of about 9 μM.
References	[1]. Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening. J Med Chem. 2022 Oct 13.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~315.28 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.88 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.1528 mL	15.7639 mL	31.5278 mL
	5 mM	0.6306 mL	3.1528 mL	6.3056 mL
	10 mM	0.3153 mL	1.5764 mL	3.1528 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.