| Identification | Back Directory | [Name]
2-Pyrrolidinone, 1-(phenylmethyl)-4-(9H-purin-6-ylamino)-, (4S)- | [CAS]
2550398-89-3 | [Synonyms]
2-Pyrrolidinone, 1-(phenylmethyl)-4-(9H-purin-6-ylamino)-, (4S)- | [Molecular Formula]
C16H16N6O | [MDL Number]
MFCD33402166 | [MOL File]
2550398-89-3.mol | [Molecular Weight]
308.34 |
| Chemical Properties | Back Directory | [Boiling point ]
699.1±55.0 °C(Predicted) | [density ]
1.456±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [form ]
Solid | [pka]
10.01±0.10(Predicted) | [color ]
White to yellow |
| Hazard Information | Back Directory | [Uses]
Benpyrine is a highly specific and orally active TNF-α inhibitor with a KD value of 82.1 μM. Benpyrine tightly binds to TNF-α and blocks its interaction with TNFR1, with an IC50 value of 0.109 μM. Benpyrine has the potential for TNF-α mediated inflammatory and autoimmune disease research[1]. | [in vivo]
Benpyrine (25-50 mg/kg; oral gavage; daily; for 2 weeks; Balb/c mice) treatment significantly relieves the symptoms of collagen-induced arthritis. Benpyrine dose-dependently decreases the levels of proinflammatory cytokines, such as IFN-γ, IL-1β and IL-6, and increases the concentration of the anti-inflammatory cytokine IL-10[1].
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Endotoxemia murine model shows that Benpyrine (25 mg/kg) could attenuate TNF-α-induced inflammation, thereby reducing liver and lung injury[1]. | Animal Model: | Balb/c mice (18-20 g) injected with collagen[1] | | Dosage: | 25 mg/kg, 50 mg/kg | | Administration: | Oral gavage; daily; for 2 weeks | | Result: | Relieved the symptoms of collagen-induced arthritis in mice.
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| [storage]
Store at -20°C | [References]
[1] Weiguang Sun, et al. Discovery of an Orally Active Small Molecule TNF-α Inhibitor. J Med Chem. 2020 Jul 15. DOI:10.1021/acs.jmedchem.0c00377 |
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