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SPD304

SIGMA/S1697 - ≥98% (HPLC), solid

Synonym: 6,7-Dimethyl-3-[[methyl[2-[methyl[[1-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl]methyl]amino]ethyl]amino]methyl]-(4H-1-Benzopyran-4-one dihydrochloride; SPD00000304

CAS Number: 1049741-03-8
Empirical Formula (Hill Notation): C32H32F3N3O2 · 2HCl
Molecular Weight: 620.53
MDL Number: MFCD09265259
Linear Formula: C32H32F3N3O2 · 2HCl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-S1697-1MG 1 mg
 $285.00
1/EA		 Add To Favorites
45-S1697-5MG 5 mg
 $1000.00
1/EA		 Add To Favorites

 

assay ≥98% (HPLC)
color white
form solid
InChI 1S/C32H32F3N3O2.2ClH/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35;;/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3;2*1H
InChI key GOZMBJCYMQQACI-UHFFFAOYSA-N
Quality Level 100 
SMILES string Cl.Cl.CN(CCN(C)Cc1cn(-c2cccc(c2)C(F)(F)F)c3ccccc13)CC4=COc5cc(C)c(C)cc5C4=O
solubility H2O: >5 mg/mL
storage temp. 2-8°C
Application: 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.
Application: SPD304 may be used in TNF-α-mediated cell signaling studies.
Biochem/physiol Actions: SPD304 is a small molecule inhibitor of TNF-α activity.
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.
Biochem/physiol Actions: 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-κB ligand (RANKL) by similar interaction.
Packaging: 1, 5 mg in glass bottle
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 51111800

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