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.
For research use only. We do not sell to patients.
- CAS No.: 1185003-32-0
- Formula: C18H17N3O4S2
- Molecular Weight:403.48
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Storage:
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
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
PGK1 0.48 μM (IC50) |
PGK1 63 nM (Kd) |
In Vitro
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. Further protocols information, click here.
Parmacokinetics
| 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 % | / | / |
In Vivo
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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Molecular Weight 403.48
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Formula C18H17N3O4S2
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SMILES
O=C1NC2=C(C(NC3CCCCC3)=O)SC(N2C4=CC5=C(C=C14)OCO5)=S
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Protocols
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
PGK1-IN-3 Related Classifications
HY-184191 Related Classifications
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