1436382-04-5Relevant articles and documents
Regioselective one-pot C-N coupling of substituted naphthoquinones: Selective intramolecular ring fusion of sulfonamides
Yu, Wenying,Li, Chenglong
, p. 459 - 464 (2014)
The first one-pot copper-catalyzed highly regioselective C-N bond formation between aryl/alkyl amines and sulfonamide-substituted naphthoquinones was accomplished. Facile chemoselective routes obtained diverse ring-opening 6-amino/anilino-naphthalen-dione-1-sulfonamides and ring-fused 6-amino/aniline-5H-naphth[1,8-cd]isothiazol-5-one,1,1-dioxides with great functional group tolerance. Regiochemistry was confirmed by 1D- and 2D-NMRs.
Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design
Yu, Wenying,Xiao, Hui,Lin, Jiayuh,Li, Chenglong
, p. 4402 - 4412 (2013/07/19)
Constitutive activation of signal transducer and activator of transcription 3 (STAT3) has been validated as an attractive therapeutic target for cancer therapy. To stop both STAT3 activation and dimerization, a viable strategy is to design inhibitors blocking its SH2 domain phosphotyrosine binding site that is responsible for both actions. A new fragment-based drug design (FBDD) strategy, in silico site-directed FBDD, was applied in this study. A designed novel compound, 5,8-dioxo-6-(pyridin-3-ylamino)-5,8-dihydronaphthalene-1-sulfonamide (LY5), was confirmed to bind to STAT3 SH2 by fluorescence polarization assay. In addition, four out of the five chosen compounds have IC50 values lower than 5 μM for the U2OS cancer cells. 8 (LY5) has an IC50 range in 0.5-1.4 μM in various cancer cell lines. 8 also suppresses tumor growth in an in vivo mouse model. This study has demonstrated the utility of this approach and could be used to other drug targets in general.
