ChemicalBook--->CAS DataBase List--->866028-26-4

866028-26-4

866028-26-4 Structure

866028-26-4 Structure
IdentificationBack Directory
[Name]

INF39
[CAS]

866028-26-4
[Synonyms]

INF39
CS-2508
INF39 >=98% (HPLC)
INF-39;INF 39;INF39
Ethyl 2-(2-chlorobenzyl)acrylate
Benzenepropanoic acid, 2-chloro-α-methylene-, ethyl ester
[Molecular Formula]

C12H13ClO2
[MDL Number]

MFCD27930542
[MOL File]

866028-26-4.mol
[Molecular Weight]

224.68
Chemical PropertiesBack Directory
[Boiling point ]

309.3±30.0 °C(Predicted)
[density ]

1.131±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

DMSO:66.0(Max Conc. mg/mL);293.75(Max Conc. mM)
Ethanol:30.0(Max Conc. mg/mL);133.52(Max Conc. mM)
[form ]

oil
[color ]

colorless to light brown
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

INF 39 is a NLRP3 inflammasome inhibitor. Used in the treatment of inflammatory bowel disease.
[Biochem/physiol Actions]

INF39 is an orally active acrylate derivative and a non-cytotoxic INF4E analog (no toxicity at 100 μM in THP-1 cultures vs. TC50 = 65 μM with INF4E) that acts as an irreversible inhibitor against NLRP3 (NACHT, LRR and PYD domains-containing protein 3) ATPase activity (52% inhibition in 15 min by 100 μM INF39; 105 ng human NLP3 & 250 μM ATP) essential for the NLRP3 inflammasome assembly and activation. INF39 effectively decreases 5 mM (30 min) ATP-induced interleukin-1β (IL-1β) release and pyroptosis of murine bone marrow-derived macrophages in cultures (by 55-58% and 43-65%, respectively, with 1-hr 10 μM INF39 pretreatment of LPS-primed BMDM) and alleviates gut-associated inflammation in a rat model of 2,4-dinitrobenzenesulfonic acid (DNBS)-induced colitis in vivo (12.5-50 mg/kg/day in 0.2 mL olive oil p.o.).
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

INF39(866028-26-4)1HNMR
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