BPR1K871 (DBPR114) is a potent and specific FLT3/AURKA dual (bifunctional) inhibitor (antagonist) with IC50s of 19 nM and 22 nM for FLT3 and AURKA respectively. BPR1K871 could be used in cancer research.

Physicochemical Properties

Molecular Formula	C25H28CLN7O2S
Molecular Weight	526.05
Exact Mass	525.171
CAS #	2443767-35-7
PubChem CID	126970666
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Index of Refraction	1.710
LogP	4.27
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	36
Complexity	678
Defined Atom Stereocenter Count	0
InChi Key	MMVLETOTGHDVPQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H28ClN7O2S/c1-33(2)11-4-12-35-19-7-8-21-22(14-19)29-16-30-23(21)27-10-9-20-15-28-25(36-20)32-24(34)31-18-6-3-5-17(26)13-18/h3,5-8,13-16H,4,9-12H2,1-2H3,(H,27,29,30)(H2,28,31,32,34)
Chemical Name	1-(3-chlorophenyl)-3-[5-[2-[[7-[3-(dimethylamino)propoxy]quinazolin-4-yl]amino]ethyl]-1,3-thiazol-2-yl]urea
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: 19 nM (FLT3), 22 nM (AURKA)[1]
ln Vitro	BPR1K871 exhibits strong anti-proliferative properties with an EC50 of approximately 5 nM in MOLM-13 and MV4-11 AML cells[1].
ln Vivo	BPR1K871 is a multi-kinase inhibitor used to treat solid tumors and acute myeloid leukemia (AML)[1].
References	[1]. Discovery of BPR1K871, a quinazoline based, multi-kinase inhibitor for the treatment of AML and solid tumors: Rational design, synthesis, in vitro and in vivo evaluation. 2016 Dec 27; 7(52): 86239–86256.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (237.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.95 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 20.8 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: ≥ 2.08 mg/mL (3.95 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 20.8 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	1.9010 mL	9.5048 mL	19.0096 mL
	5 mM	0.3802 mL	1.9010 mL	3.8019 mL
	10 mM	0.1901 mL	0.9505 mL	1.9010 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.