UCK2 Inhibitor-1 (Compound 20874830-2) is a noncompetitive UCK2 inhibitor (antagonist) with IC50 of 4.7 µM.

Physicochemical Properties

Molecular Formula	C27H21N3O4S
Molecular Weight	483.53
Exact Mass	483.125
CAS #	902289-98-9
PubChem CID	20874835
Appearance	White to off-white solid powder
LogP	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	35
Complexity	748
Defined Atom Stereocenter Count	0
InChi Key	XFGJSMZOKNVCKV-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H21N3O4S/c1-16-7-5-10-18-14-21-25(34-23(16)18)29-24(17-8-3-2-4-9-17)30-26(21)35-15-22(31)28-20-12-6-11-19(13-20)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)
Chemical Name	3-[[2-[(9-methyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoic acid
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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: 4.7 µM (UCK2)[1]
References	[1]. Okesli-Armlovich A, et al. Discovery of small molecule inhibitors of human uridine-cytidine kinase 2 by high-throughput screening. Bioorg Med Chem Lett. 2019 Sep 15;29(18):2559-2564.

Solubility Data

Solubility (In Vitro)

DMSO: 12.5 mg/mL (25.85 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.59 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 12.5 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	2.0681 mL	10.3406 mL	20.6812 mL
	5 mM	0.4136 mL	2.0681 mL	4.1362 mL
	10 mM	0.2068 mL	1.0341 mL	2.0681 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.