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S1697

SPD304

≥98% (HPLC), solid

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C32H32F3N3O2 · 2HCl
CAS Number:
1049741-03-8
Molecular Weight:
620.53
NACRES:
NA.77
PubChem Substance ID:
24724602
UNSPSC Code:
51111800
MDL number:
MFCD09265259
Assay:
≥98% (HPLC)
Form:
solid
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Quality Segment

100

assay

≥98% (HPLC)

form

solid

color

white

solubility

H2O: >5 mg/mL

storage temp.

2-8°C

SMILES string

Cl.Cl.CN(CCN(C)Cc1cn(-c2cccc(c2)C(F)(F)F)c3ccccc13)CC4=COc5cc(C)c(C)cc5C4=O

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

Gene Information

human ... TNF(7124)
mouse ... TNF(21926)
rat ... TNF(24835)

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.
SPD304 may be used in TNF-α-mediated cell signaling studies.

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.
SPD304 is a small molecule inhibitor of TNF-α 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 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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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