PBRM1-BD2-IN-5 is a potent PBRM1 bromodomain inhibitor (antagonist) with Kd of 1.5 μM and 3.9 μM for PBRM1-BD2 and PBRM1-BD5, respectively, and IC50 of 0.26 μM for PBRM1-BD2. PBRM1-BD2-IN-5 reduces the binding of full-length PBRM1 to acetylated histone peptides in the PBAF complex in cell lysates. PBRM1-BD2-IN-5 could be used in anti-cancer research.

Physicochemical Properties

Molecular Formula	C15H13CLN2O
Molecular Weight	272.72952246666
Exact Mass	272.071
CAS #	2819989-61-0
PubChem CID	164880770
Appearance	White to off-white 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(Cl)=CC=C2)C(=O)NC1C1=CC=CC(C)=C1
InChi Key	OBDBCXGMLSMARG-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H13ClN2O/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-chloro-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	Kd: 1.5 μM (PBRM1-BD2), 3.9 μM (PBRM1-BD5)[1] IC50: 0.26 μM (PBRM1-BD2)[1]
ln Vitro	Compound 16 (PBRM1-BD2-IN-5) (0–10 μM; 5 days) inhibits LNCaP cells that express PBRM1 and decreases the binding of full-length PBRM1 to acetylated histone peptides in cell lysates inside the PBAF complex[1].
Cell Assay	Cell Viability Assay[1] Cell Types: LNCaP cells expressing lentiviral shPBRM1 Tested Concentrations: 0, 0.1, 1 and 10 μM Incubation Duration: 5 days Experimental Results: demonstrated a more significant effect on LNCaP viability in cells with native PBRM1 levels than in cells with PBRM1 knockdown. decreased the binding of full-length PBRM1 within the PBAF complex in cell lysates to acetylated histone peptides.
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 (~366.66 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.17 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 (9.17 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	3.6666 mL	18.3332 mL	36.6663 mL
	5 mM	0.7333 mL	3.6666 mL	7.3333 mL
	10 mM	0.3667 mL	1.8333 mL	3.6666 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.