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Merck
CN

654256-M

TNF-α Inhibitor

The TNF-α Inhibitor, also referenced under CAS 1049741-03-8, controls the biological activity of TNF-α.

Synonym(s):

TNF-α Inhibitor, Tumor Necrosis Factor-α Inhibitor, TNF-α Inhibitor, 6,7-Dimethyl-3-((methyl-(2-(methyl-(1-(3-trifluoromethyl-phenyl)-1H-indol-3-ylmethyl)-amino)-ethyl)-amino)-methyl)-chromen-4-one, diHCl

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About This Item

Empirical Formula (Hill Notation):
C32H32F3N3O2 · 2HCl · 0.5H2O
CAS Number:
1049741-03-8
Molecular Weight:
629.54
MDL number:
MFCD09265259
UNSPSC Code:
51111800
NACRES:
NA.77

Key Documents

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InChI key

GOZMBJCYMQQACI-UHFFFAOYSA-N

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

SMILES string

FC(F)(F)c1cc(ccc1)[n]2c3c(c(c2)CN(CCN(Cc4[c](c5c([o]c4)cc(c(c5)C)C)=O)C)C)cccc3.Cl.Cl

assay

≥95% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze, desiccated (hygroscopic), protect from light

color

white

solubility

DMSO: 10 mg/mL

storage temp.

−20°C

Quality Level

100

Related Categories

General description

A cell-permeable indolyl-chromenone compound that rapidly inactivates TNF-α by non-covalently binding to the TNF-α trimer and promoting subunit dissociation and preventing TNF-α binding to its receptor (IC50 = 22 µM). Shown to selectively inhibit TNF-α-, but not IL-1β-induced IκB-α degradation in HeLa cells (IC50 = 4.6 µM).

Biochem/physiol Actions

Primary Target
TNF-α
Target IC50: 22 µM for non-covalently binding to the TNF-α trimer and promoting subunit dissociation and preventing TNF-α binding to its receptor

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Other Notes

He, M.M., et al. 2005. Science310, 1022.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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