SJB3-019A (SJB-019) is a novel and potent USP1 (Ubiquitin-specific protease 1) inhibitor, promoting ID1 degradation and cytoxicity in K562 cells with IC50 of 0.0781 μM.

Physicochemical Properties

Molecular Formula	C16H8N2O3
Molecular Weight	276.24632358551
Exact Mass	276.053
CAS #	2070015-29-9
PubChem CID	78358325
Appearance	Light yellow to yellow solid powder
Density	1.426±0.06 g/cm3(Predicted)
Boiling Point	526.1±52.0 °C(Predicted)
LogP	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	21
Complexity	453
Defined Atom Stereocenter Count	0
InChi Key	DOYPPVCQHGJUBC-UHFFFAOYSA-N
InChi Code	InChI=1S/C16H8N2O3/c19-13-10-5-1-2-6-11(10)14(20)15-12(13)18-16(21-15)9-4-3-7-17-8-9/h1-8H
Chemical Name	2-pyridin-3-ylbenzo[f][1,3]benzoxazole-4,9-dione
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	Compared to SJB2-043, SJB3-019A (IC50=0.0781 μM) had five times the potency in stimulating ID1 degradation and cytotoxicity in K562 cells. SJB3-019A lowers HR activity while raising Ub-FANCD2 and Ub-PCNA levels [1].
References	[1]. Small molecule inhibitors of USP1 target ID1 degradation in leukemic cells. Mol Cancer Ther Published OnlineFirst October 15, 2013.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~36.20 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (3.62 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 10.0 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	3.6199 mL	18.0995 mL	36.1991 mL
	5 mM	0.7240 mL	3.6199 mL	7.2398 mL
	10 mM	0.3620 mL	1.8100 mL	3.6199 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.