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2454246-18-3

2454246-18-3 Structure

2454246-18-3 Structure
IdentificationBack Directory
[Name]

3-Thiopheneacetamide, N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-[(2-propyn-1-ylamino)sulfonyl]phenyl]ethyl]-
[CAS]

2454246-18-3
[Synonyms]

3-Thiopheneacetamide, N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-[(2-propyn-1-ylamino)sulfonyl]phenyl]ethyl]-
[Molecular Formula]

C27H29ClN2O4S2
[MDL Number]

MFCD32263442
[MOL File]

2454246-18-3.mol
[Molecular Weight]

545.11
Chemical PropertiesBack Directory
[Boiling point ]

705.8±70.0 °C(Predicted)
[density ]

1.287±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 250 mg/mL (458.62 mM)
[form ]

A crystalline solid
[pka]

9.32±0.50(Predicted)
Spectrum DetailBack Directory
[Spectrum Detail]

YQ128(2454246-18-3)1HNMR
Hazard InformationBack Directory
[Biological Activity]

YQ128 is a potent and selective second-generation NLRP3 inflammasome inhibitor with IC50 of 0.30 μM. YQ128 significantly and selectively inhibited the production of IL-1β, but not TNF-α. YQ128 can cross the blood-brain barrier to reach the central nervous system. YQ128 has anti-inflammatory activity.
[in vitro]

YQ128 (0.3-100 μM; 30 mins) dose dependently suppressed the release of IL-1β from peritoneal macrophages upon LPS/ATP challenge with an IC 50 of 1.59 μM.
YQ128 (20 μM; 2 hours) shows no significant toxic effects on hCMEC/D3 cells.

Cell Viability Assay

< td class="col1"> Cell Line:
Mouse peritoneal macrophages
Concentration: 0.3, 1.0, 3.0, 10, 30, 100 μM
Incubation Time: 30 mins
Result: Suppressed the release of IL-1β from peritoneal macrophages upon LPS/ATP challenge with an IC 50 of 1.59 μM.
[in vivo]

YQ128 (iv; 20 mg/kg) has an intermediate terminal plasma half-life (t 1/2 ) of 6.6 hours after iv administration.
YQ128 (oral ; 20 mg/kg) shows delayed gastrointestinal absorption with at max and c max of 12 h and 73 ng/mL, respectively. Oral bioavailability (F oral < /sub> ) is estimated as 10%.
YQ128 exhibits extensive extravascular distribution with a large steady-state volume of distribution (Vd ss ) of 8.5 L/kg and rapid total clearance (CL tot ) of 41 mL/min/kg.
has been shown to trigger IL-1β production in a NLRP3-dependent manner in C57BL/6 mice. < /p>

< tr> Administration: < td class="col2"> Had an intermediate terminal plasma half-life (t 1/2 ) of 6.6 hours after iv administration.
Animal Model: Sprague-Dawley rats (200-250 g)
Dosage: 20 mg/kg (Pharmacokinetic Analysis)
Iv
Result:
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