WEE1-IN-5

• CAT Number: I043530
• CAS Number: 2243882-74-6
• Molecular Formula: C26H28Cl2N6O
• Molecular Weight: 511.45
• Purity: ≥95%
• Synonyms: 6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-one
• InChI: 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)
• InChIKey: VWHNEYAANMETIA-UHFFFAOYSA-N
• SMILES: CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(CN(C3=O)C4=C(C=CC=C4Cl)Cl)C)C5CCN(CC5)C

WEE1-IN-5 is a potent WEE1 inhibitor with an IC50 value of 0.8 nM. WEE1-IN-5 inhibits phospho-CDC2. WEE1-IN-5 abrogates the G2 check point, increasing sensitivity to DNA damaging agents in cancer cells. WEE1-IN-5 can be used for researching anticancer[1].
WEE1-IN-5 exhibits an EC50 of 188 nM in pCDC2 and an IC50 shift for CYP3A4/5[1].
WEE1-IN-5 (5mg/kg for PO; 1 mg/kg for IV; single dosage) exhibits a CL of 14 mL/min/kg, an AUCint 1324 h·ng/mL and bioavailability of 35% in SD rats[1].

Reference

[1]. H. Gelderblom, et al. 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.