Antiparasitic agent-48
Antiparasitic agent-48 is an orally active Schistosoma mansoni cathepsin B1 (SmCB1) modulator that exerts antischistosomal effects by stably binding to the enzyme active site, with an IC50 of 50.74 μM. It induces tegumental disruption, modulates immune responses, inhibits hepatic granuloma formation, and reduces worm burden and tissue egg burden. Antiparasitic agent-48 can be used for research on schistosomiasis.
For research use only. We do not sell to patients.
- Formula: C18H13ClN4S
- Molecular Weight:352.84
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Biological Activity
Description
IC50 & Target
[1]|
SmCB1 |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| J774.A1 | CC50 |
236.07 μM
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Cytotoxicity against murine J774.A1 macrophages assessed as reduction in cell viability incubated for 72 hrs by MTT assay.
Cytotoxicity against murine J774.A1 macrophages assessed as reduction in cell viability incubated for 72 hrs by MTT assay.
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42600469 |
| HepG2 | CC50 |
261.69 μM
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Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay.
Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay.
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42600469 |
In Vitro
Antiparasitic agent-48 (compound JF4) (6.25-100 μM; 72 h) shows a favorable safety profile in J774-A1 macrophages and HepG2 cells, with CC50 values of 236.07 μM and 261.69 μM, respectively[1].
Antiparasitic agent-48 (6.25-200 μM; 3-120 h) exhibits potent in vitro schistosomicidal activity against adult Schistosoma mansoni worms, with an IC50 of 50.74 μM, and a mortality rate of 100% after treatment with 100 μM for 24 h[1].
Antiparasitic agent-48 (2× IC50; 24 h) causes pronounced tegumental damage in adult Schistosoma mansoni, including extensive disintegration, erosion, and blister formation[1].
Antiparasitic agent-48 (3.9-1000 μg/mL; 24 h) acts as a mild immunomodulator in BALB/c mouse splenocytes, promoting selective inflammatory activation without impairing regulatory pathways or inducing excessive oxidative stress[1].
Antiparasitic agent-48 exhibits strong binding affinity for SmCB1 with a GoldScore of 60.52 and engages in key interactions with the catalytic residues Cys100, His270, and Glu316[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:J774.A1 macrophages and HepG2
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Concentration:100, 50, 25, 12.5, and 6.25 μM
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Incubation Time:72 h
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Result:Exhibited CC50 values of 236.07 μM in J774.A1 macrophages and 261.69 μM in HepG2 cells.
Was the least toxic derivative in the series, with CC50 values above 230 μM in both cell lines.
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Cell Line:Murine splenocytes
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Concentration:1000, 500, 250, 125, 62.5, 31.25, 15.63, 7.81, and 3.9 μg/mL
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Incubation Time:24 h
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Result:Displayed a balanced immunological profile, with slight increases in IL-2, IFN-γ, IL-12, and IL-17, alongside maintenance or mild elevation of IL-4, IL-10, and TGF-β.
Effects on CD4+ and CD8+ populations were minimal.
ROS levels and mitochondrial parameters were the lowest among the derivatives.
At 1000 μg/mL, cell viability was 91.8% (propidium iodide) and 91.4% (Annexin V), with cell proliferation at 26.0%.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Swiss Webster (percutaneously infected with 80 Schistosoma mansoni cercariae of the BH strain)[1]
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Dosage:100, 50, 25, and 12.5 mg/kg
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Administration:p.o.; once daily; from day 45 to day 49 post-infection
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Result:Reduced total worm burden by 65.96% (21.50 worms) at 50 mg/kg.
Reduced female worm burden by 62.37% (10.86 female worms) at 50 mg/kg.
Reduced hepatic egg load by 70.44% (2.58 ×103 eggs/g tissue) at 50 mg/kg.
Reduced intestinal egg load by 73.6% (3.27 ×103 eggs/g tissue) at 50 mg/kg.
Reduced fecal egg output by 68.94% (122.4 eggs per gram of feces) at 50 mg/kg.
Reduced mean number of hepatic granulomas to 4.1 (59.8% reduction) compared to control (10.2) at 50 mg/kg.
Chemical Information
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Molecular Weight 352.84
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Formula C18H13ClN4S
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SMILES
ClC1=CC=C(C2=CSC(N/N=C/C3=CNC4=C3C=CC=C4)=N2)C=C1
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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.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Antiparasitic agent-48 Related Classifications
HY-189461 Related Classifications
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