ChemicalBook--->CAS DataBase List--->869998-49-2

869998-49-2

869998-49-2 Structure

869998-49-2 Structure
IdentificationBack Directory
[Name]

SPD-304
[CAS]

869998-49-2
[Synonyms]

SPD-304
CS-2594
CAY10500
SPD-304 Exclusive
6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]methyl]chromen-4-one
4H-1-Benzopyran-4-one, 6,7-dimethyl-3-[[methyl[2-[methyl[[1-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]methyl]amino]ethyl]amino]methyl]-
[Molecular Formula]

C32H32F3N3O2
[MDL Number]

MFCD31750784
[MOL File]

869998-49-2.mol
[Molecular Weight]

547.61
Chemical PropertiesBack Directory
[Boiling point ]

589.2±50.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMF: 1 mg/ml; DMSO: 10 mg/ml; Ethanol: 1 mg/ml
[form ]

A crystalline solid
[pka]

7.65±0.50(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

SPD304 has been used in the inhibition of tumor necrosis factor receptor 1 (TNFR1) in dorsal root ganglion neurons and tumor necrosis factor alpha in colonic epithelial cell lines.
[Biochem/physiol Actions]

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 subunits, displacing one of the trimer units, resulting 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.
[in vivo]

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

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