ChemicalBook--->CAS DataBase List--->1049741-03-8

1049741-03-8

1049741-03-8 Structure

1049741-03-8 Structure
IdentificationBack Directory
[Name]

TNF-α inhibitor
[CAS]

1049741-03-8
[Synonyms]

TNF-α inhibitor
SPD304 dihydrochloride
[Molecular Formula]

C32H33ClF3N3O2
[MDL Number]

MFCD09265259
[MOL File]

1049741-03-8.mol
[Molecular Weight]

584.08
Chemical PropertiesBack Directory
[storage temp. ]

4°C, away from moisture
[solubility ]

DMSO : 11.36 mg/mL (18.31 mM; ultrasonic and warming and heat to 60°C)
[form ]

White powder solid.
[color ]

White to off-white
[Water Solubility ]

H2O: >5mg/mL
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H335-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

TNF-alpha Inhibitor is a selective inhibitor of TNF-α.
[Biological Activity]

SPD304 is a small molecule inhibitor of TNF-a activity with a novel mechanism of action. It interferes with protein-protein interactions on the contact surfaces of the trimeric TNF-a subunitsdisplacing one of the trimer unitsresulting in dissociation of the trimer and loss of activity at the receptor TNFR1. SPD304 inhibits TNFR1 receptor binding to TNF-a with an IC50 of 22μM in vitro and inhibits TNF-a-mediated stimulation of IkB degradation in HeLa cells with an IC50 of 4.6 μM.''Trimerization of TNF-α is essential for its biological activity. SPD304 inhibits the trimerization by interacting with Glycine 122 residue. It also inhibits the activity of Receptor activator of nuclear factor-KB ligand (RANKL) by similar interaction.
[in vivo]

SPD304 cannot be used in vivo due to its high toxicity[3].

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