| Identification | Back Directory | [Name]
Pyrimido[4,5-d]pyrimidin-4(1H)-one, 3-(2,6-dichlorophenyl)-2,3-dihydro-1-methyl-7-[[3-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino]- | [CAS]
2243882-74-6 | [Synonyms]
Debio-0123
Pyrimido[4,5-d]pyrimidin-4(1H)-one, 3-(2,6-dichlorophenyl)-2,3-dihydro-1-methyl-7-[[3-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino]- | [Molecular Formula]
C26H28Cl2N6O | [MOL File]
2243882-74-6.mol | [Molecular Weight]
511.45 |
| Chemical Properties | Back Directory | [Boiling point ]
684.4±65.0 °C(Predicted) | [density ]
1.331±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 125 mg/mL (244.40 mM; Need ultrasonic) | [form ]
Solid | [pka]
8.97±0.20(Predicted) | [color ]
White to off-white | [InChIKey]
VWHNEYAANMETIA-UHFFFAOYSA-N | [SMILES]
C1N(C2=C(Cl)C=CC=C2Cl)C(=O)C2=CN=C(NC3=CC=C(C4CCN(C)CC4)C(C)=C3)N=C2N1C |
| Hazard Information | Back Directory | [Uses]
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]. | [in vivo]
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]. | [References]
[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. |
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