WEE1-IN-5 is a potent inhibitor of WEE1 with IC50 of 0.8 nM. WEE1-IN-5 inhibits phosphorylated CDC2. WEE1-IN-5 eliminates the G2 checkpoint and increases the sensitivity of cancer/tumor cells to the DNA damaging agent Carboplatin. WEE1-IN-5 could be used in anti-cancer research.

Physicochemical Properties

Molecular Formula	C26H28CL2N6O
Molecular Weight	511.4461
Exact Mass	510.17
CAS #	2243882-74-6
PubChem CID	152206257
Appearance	White to off-white solid powder
Density	1.331±0.06 g/cm3(Predicted)
Boiling Point	684.4±65.0 °C(Predicted)
LogP	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	35
Complexity	727
Defined Atom Stereocenter Count	0
InChi Key	VWHNEYAANMETIA-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H28Cl2N6O/c1-16-13-18(7-8-19(16)17-9-11-32(2)12-10-17)30-26-29-14-20-24(31-26)33(3)15-34(25(20)35)23-21(27)5-4-6-22(23)28/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,29,30,31)
Chemical Name	6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-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

ln Vitro	WEE1-IN-5 in pCDC2 has an EC50 of 188 nM, while CYP3A4/5 has a variable IC50 [1].
ln Vivo	In SD rats, WEE1-IN-5 (5 mg/kg orally; 1 mg/kg intravenously; single dose) has a bioavailability of 35%, an AUCint of 1324 h·ng/mL, and a CL of 14 mL/min/kg. ..1].
References	[1]. 601TiP First-in-human phase I study of a novel oral Wee1 inhibitor (Debio 0123) in combination with carboplatin in patients with advanced solid tumours. Ann Oncol. 2020 Sep; 31: S501-S502.

Solubility Data

Solubility (In Vitro)

DMSO : ~20 mg/mL (~39.10 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (1.96 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (1.96 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 1 mg/mL (1.96 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	1.9552 mL	9.7761 mL	19.5523 mL
	5 mM	0.3910 mL	1.9552 mL	3.9105 mL
	10 mM	0.1955 mL	0.9776 mL	1.9552 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.