PGK1-IN-3
PGK1-IN-3 is an orally active PGK1 inhibitor with human PGK1 IC50 values of 0.48 μM and human PGK1 Kd of 63 nM. PGK1-IN-3 binds to the ADP-binding pocket of PGK1, inhibits glycolysis, and reduces glucose consumption and lactate production. PGK1-IN-3 can be used for the research of pancreatic cancer.
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- CAS No.: 1185003-32-0
- 화학식: C18H17N3O4S2
- 분자량:403.48
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- 순도&문서
- References
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Help & FAQs
Biological Activity
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PGK1 0.48 μM (IC50) |
PGK1 63 nM (Kd) |
PGK1-IN-3 (Compound C67-47) (15 min) potently inhibits purified recombinant PGK1 enzyme activity with an IC50 of 0.48 μM and glycolysis activity with an IC50 of 0.37 μM[1].
PGK1-IN-3 binds directly to PGK1 protein with a dissociation constant of 63 nM[1].
PGK1-IN-3 exhibits an IC50 of 2.86 μM for PLK1[1].
PGK1-IN-3 (0.5-1 μM; 24 h) dose-dependently inhibits glucose consumption in PANC-1 human pancreatic cancer cells[1].
PGK1-IN-3 (0.5-1 μM; 24 h) dose-dependently inhibits lactate production in PANC-1 human pancreatic cancer cells[1].
PGK1-IN-3 (2-fold serial dilutions; 72 h) inhibits the viability of human (MiaPaCa-2, PANC-1, Capan-1, AsPC-1, CFPAC-1) and murine (KPC1199, Panc02) pancreatic cancer cell lines with IC50 values ranging from 0.48 μM to 2.00 μM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
| Species | Dose | Route | T1/2 | Cmax | AUC0-t | F | CL | Vss |
|---|---|---|---|---|---|---|---|---|
| Mice[1] | 2 mg/kg | i.v. | 0.3 h | / | 953 ng·h/mL | / | 35.1 mL/min/kg | 0.93 L/kg |
| Mice[1] | 10 mg/kg | p.o. | 3.1 h | 798 ng/mL | 2297 ng·h/mL | 56 % | / | / |
| Rat[1] | 2 mg/kg | i.v. | 2.9 h | / | 12908 ng·h/mL | / | 2.6 mL/min/kg | 0.2 L/kg |
| Rat[1] | 10 mg/kg | p.o. | 3.2 h | 7360 ng/mL | 37351 ng·h/mL | 58 % | / | / |
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:C57BL/6 (6-week-old male; subcutaneously injected with 1 × 106 Panc02 murine pancreatic cancer cells to establish a pancreatic cancer xenograft model)[1]
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Dosage:50 mg/kg
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Administration:p.o.; daily for 24 days
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Result:Achieved 80% tumor growth inhibition (TGI) after 15 days.
Showed no observable impact on mouse body weight relative to vehicle controls.
Reduced tumor volumes and weights significantly compared to controls.
Chemical Information
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CAS No. 1185003-32-0
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분자량 403.48
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화학식 C18H17N3O4S2
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SMILES
O=C1NC2=C(C(NC3CCCCC3)=O)SC(N2C4=CC5=C(C=C14)OCO5)=S
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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