BAL-1516
BAL-1516 is an orally active NLRP3 inhibitor with human NLRP3 Kd of 14.2 nM, mouse NLRP3 Kd of 200 nM, and blood-brain barrier penetration.BAL-1516 binds to a surface groove of the NLRP3 nucleotide-binding domain, contacts FISNA and WHD subdomains, forms three hydrogen bonds to the peripheral β-strand of the triple-ATPase, and does not alter NLRP3 ATP-hydrolysis activity.BAL-1516 shows specificity for NLRP3 over other NOD-like receptors, directly binds mouse NLRP3, and inhibits inflammasome formation in monocytes and microglia.
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- Formel: C23H25N5O2S
- Molecular Weight:435.54
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biologische Aktivität
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Chemical Information
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Biologische Aktivität
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NLRP3 14.2 nM (IC50) |
BAL-1516 potently binds to the NACHT domain of human NLRP3 with a KD of 14.2 nM, and its binding site differs from that of MCC950 (HY-12815)[1].
BAL-1516 (10 μM; pre-incubated on ice for 30 min, then incubated with ATP at 25 °C for 68 min) does not inhibit the ATP hydrolysis activity of full-length human NLRP3 protein[1].
BAL-1516 binds to the wild-type mouse NLRP3NACHT domain with a Kd of 200 nM, exhibiting higher affinity than the lead compound BAL-0028 (HY-162333)[1].
BAL-1516 (incubated with Doxycycline (HY-N0565) for 4 h, followed by stimulation with Nigericin (HY-127019) for 1 h) potently inhibits Nigericin-induced NLRP3 inflammasome ASC speck formation in HEK293T cells expressing human NLRP3, with an IC50 of 14.5 nM[1].
BAL-1516 (0.256-4 μM; pre-incubated on ice for 30 min, followed by Nigericin stimulation for 30 min) potently inhibits the release of IL-1β and IL-18 from human induced pluripotent stem cell-derived microglia induced by LPS and Nigericin, with IC50 values of 11 nM and 9.0 nM, respectively[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:Human iCell Microglial
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Concentration:0.256-4 μM
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Incubation Time:30 min pre-incubation, 30 min Nigericin stimulation (5 μg/mL, 2 h)
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Result:Inhibited LPS- and Nigericin-induced IL-1β and IL-18 release from human iPSC-derived microglia, with IC50 values of 11 nM and 9.0 nM respectively, without causing significant cytotoxicity
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:CD-1 mice (male)[1]
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Dosage:100 mg/kg
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Administration:p.o.; single dose
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Result:Reached mean plasma concentration of 1.5×104 ng/mL and mean brain concentration of 5×103 ng/g at 1 hour post-dose.
Reached mean plasma concentration of 1×103 ng/mL and mean brain concentration of 1×103 ng/g at 6 hours post-dose.
Reached mean plasma concentration of 1×102 ng/mL and mean brain concentration of 1×102 ng/g at 9 hours post-dose.
Reached mean plasma concentration of 2×102 ng/mL and mean brain concentration of 1×102 ng/g at 12 hours post-dose.
Reached mean plasma concentration of 10 ng/mL at 22 hours post-dose, with brain concentration below the limit of quantification.
Achieved a Kp coefficient (brain to plasma concentration ratio) of 0.3 at 1 hour, 0.2 at 6 hours, 0.1 at 9 hours, and 0.1 at 12 hours.
Chemical Information
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Molecular Weight 435.54
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Formel C23H25N5O2S
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SMILES
CCOC1=CC(C(N([C@@H](C2=CN=C(C3=C2NN=C3)C)C)C)=O)=CC=C1C4=NC(C)=CS4
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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Reinheit & Dokumentation
Verweise
Calculators
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)
BAL-1516 Related Classifications
HY-175278 Related Classifications
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