| Identification | Back Directory | [Name]
1,5-Benzothiazepin-4(5H)-one, 2-(4-fluorophenyl)-2,3-dihydro-5-(1-oxo-2-propen-1-yl)- | [CAS]
1448990-73-5 | [Synonyms]
GSK-3β inhibitor 3
1,5-Benzothiazepin-4(5H)-one, 2-(4-fluorophenyl)-2,3-dihydro-5-(1-oxo-2-propen-1-yl)- | [Molecular Formula]
C18H14FNO2S | [MDL Number]
MFCD34368538 | [MOL File]
1448990-73-5.mol | [Molecular Weight]
327.37 |
| Chemical Properties | Back Directory | [Boiling point ]
489.0±45.0 °C(Predicted) | [density ]
1.297±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 250 mg/mL (763.66 mM; Need ultrasonic) | [form ]
Solid | [pka]
-0.61±0.40(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
GSK-3β inhibitor 3 is a potent, selective, irreversible and covalent inhibitor of Glycogen Synthase Kinase 3β (GSK-3β), with an IC50 of 6.6 μM. GSK-3β inhibitor 3 can be used for the research of acute promyelocytic leukemia[1]. | [Biological Activity]
GSK-3β inhibitor 3 is a potent, selective, irreversible and covalent inhibitor of Glycogen Synthase Kinase 3β (GSK-3β), with an IC50 of 6.6 μM. GSK-3β inhibitor 3 can be used for the research of acute promyelocytic leukemia[1].
GSK-3β inhibitor 3 (compound 4-3) (100 μM) inhibits GSK-3α activity by 87.3%[1].GSK-3β inhibitor 3 (6.25-100 μM; 24-48 h) dose-dependently inhibits the growth of NB4 and NB4-R1 cells[1].GSK-3β inhibitor 3 (12.5-100 μM; 24 h) significantly increases the percentage of apoptosis in a dose-dependent pattern in NB4 and NB4-R1 cells[1].
GSK-3β inhibitor 3 (compound 4-3) (15 mg/kg/d; i.p. for 2 weeks) inhibits tumor growth of mice by 75.97% relative to vehicle control[1].GSK-3β inhibitor 3 (15 mg/kg; a single i.p.) shows long T1/2 of 14.2 h, high AUC values (AUClast=3503.42 ng/mL?h), and maximum concentration (Cmax=515 ng/mL) in mice[1]. | [in vivo]
GSK-3β inhibitor 3 (compound 4-3) (15 mg/kg/d; i.p. for 2 weeks) inhibits tumor growth of mice by 75.97% relative to vehicle control[1].
GSK-3β inhibitor 3 (15 mg/kg; a single i.p.) shows long T1/2 of 14.2 h, high AUC values (AUClast=3503.42 ng/mL?h), and maximum concentration (Cmax=515 ng/mL) in mice[1]. | Animal Model: | Balb/c female nude mice were injected leukemia cells[1] | | Dosage: | 15 mg/kg/d | | Administration: | I.p. for 2 weeks | | Result: | Inhibited localized growth in NB4 cells.
Had mild weight loss compared with control. |
| Animal Model: | Male ICR mice (30 g)[1] | | Dosage: | 15 mg/kg (Pharmacokinetic Analysis) | | Administration: | A single i.p. | | Result: | T1/2=14.2 h; AUClast=3503.42 ng/mL?h; Cmax=515 ng/mL. |
| [IC 50]
GSK-3β: 6.6 μM (IC50) | [References]
[1]. Zhang P, et, al. Discovery of Novel Benzothiazepinones as Irreversible Covalent Glycogen Synthase Kinase 3β Inhibitors for the Treatment of Acute Promyelocytic Leukemia. J Med Chem. 2021 May 24. |
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