CAY10500

Modify Date: 2025-10-17 21:54:58

CAY10500 Structure
CAY10500 structure
Common Name CAY10500
CAS Number 869998-49-2 Molecular Weight 547.611
Density 1.2±0.1 g/cm3 Boiling Point 589.2±50.0 °C at 760 mmHg
Molecular Formula C32H32F3N3O2 Melting Point N/A
MSDS N/A Flash Point 310.2±30.1 °C

 Use of CAY10500


SPD304 is a selective inhibitor of tumor necrosis factor α (TNFα) and promotes dissociation of TNF trimers and therefore blocks the interaction of TNF and its receptor, with an IC50 of 22 µM for inhibiting in vitro TNF receptor 1 (TNFR1) binding to TNF-α[1][2]. SPD304 cannot be used in vivo due to its high toxicity[3].

 Names

Name 6,7-dimethyl-3-[[methyl-[2-[methyl-[[1-[3-(trifluoromethyl)phenyl]indol-3-yl]methyl]amino]ethyl]amino]methyl]chromen-4-one
Synonym More Synonyms

 CAY10500 Biological Activity

Description SPD304 is a selective inhibitor of tumor necrosis factor α (TNFα) and promotes dissociation of TNF trimers and therefore blocks the interaction of TNF and its receptor, with an IC50 of 22 µM for inhibiting in vitro TNF receptor 1 (TNFR1) binding to TNF-α[1][2]. SPD304 cannot be used in vivo due to its high toxicity[3].
Related Catalog
Target

IC50: 22 µM (TNFα)[1].

In Vitro SPD304 (2 μM) significantly rescues the survivability of aHSCs, reduces the production of lipid hydroxides, and increased intracellular GSH. The co-treatment of GA (75 μM) and SPD304 (2 μM), down-regulate TRADD almost 2-fold (w/o inhibitor vs. w/ inhibitor) and p−RIP3 1.4−fold compared to GA alone, and promotes caspase 8 activation[4].
References

[1]. Molly M. He, et al. Small-Molecule Inhibition of TNF-α. Science 11 Nov 2005.

[2]. Alexiou P, et al. Rationally designed less toxic SPD-304 analogs and preliminary evaluation of their TNF inhibitory effects. Arch Pharm (Weinheim). 2014 Nov;347(11):798-805.

[3]. Mouhsine H, et al. Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening. Sci Rep. 2017 Jun 13;7(1):3424.

[4]. Gallic acid induces necroptosis via TNF-α signaling pathway in activated hepatic stellate cells. Chang YJ, et al. PLoS One. 2015 Mar 27;10(3):e0120713.

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 589.2±50.0 °C at 760 mmHg
Molecular Formula C32H32F3N3O2
Molecular Weight 547.611
Flash Point 310.2±30.1 °C
Exact Mass 547.244690
PSA 41.62000
LogP 8.23
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.583
InChIKey JZNXLPPJRFFECJ-UHFFFAOYSA-N
SMILES Cc1cc2occ(CN(C)CCN(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C

 Synonyms

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]-
6,7-Dimethyl-3-[(methyl{2-[methyl({1-[3-(trifluoromethyl)phenyl]-1H-indol-3-yl}methyl)amino]ethyl}amino)methyl]-4H-chromen-4-one
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