112305-07-4

Upstream product

• 90-47-1 xanth-9-one 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 402-51-7 4-(trifluoromethyl)phenylmagnesium bromide 

Downstream Products

• 112305-04-1 9-(p-Trifluoromethylphenyl)xanthyl 

Relevant academic research and scientific papers

New and its salt cysteines compd.

The purpose of the present invention is to provide a novel compound with Eg5 inhibiting activity that is useful as an antitumoral agent. The present invention pertains to a compound expressed by the general formula (I) (in formula (I), A represents Ch2, a

Structure-guided design of novel l -Cysteine derivatives as potent KSP inhibitors

Kinesin spindle protein (KSP), known as Hs Eg5, a member of the kinesin-5 family, plays an important role in the formation and maintenance of the bipolar spindle. We previously reported S-trityl-l-cysteine derivatives as selective KSP inhibitors. Here, we report further optimizations using docking modeling in the L5 allosteric binding site, which led to the discovery of several high affinity derivatives with two fused phenyl rings in the trityl group giving low nanomolar range KSP ATPase inhibition. The representative derivatives potently inhibited cell growth of HCT116 cells in correlation with KSP inhibitory activities and significantly suppressed tumor growth in the xenograft model in vivo.

Triarylmethanes and 9-arylxanthenes as prototypes amphihydric compounds for relating the stabilities of cations, anions and radicals by C-H bond cleavage and electron transfer

Thermodynamic stability properties of 11 p-substituted trityl and seven 9-phenylxanthyl carbocations are reported in sulfolane and of their conjugate carbanions in DMSO. The cations are compared by calorimetric heats of hydride transfer from cyanoborohydride ion, their first and second reduction potentials, their pK+Rs in aqueous sulfuric acid, 13C chemical shifts and free energies of methoxy exchange. Carbanions are compared by their heats and free energies (pKHA) of deprotonation and their first and second oxidation potentials. Radicals are compared by their oxidation and reduction potentials. Their bond dissociation energies are derived by alternative routes: from the carbocation and its reduction potential and from the carbanion and its oxidation potential. The various properties are correlated against each other and against appropriate Hammett-type substituent parameters. Correlations between the different measured properties reported here range from fair to excellent. Despite their importance as historic prototypes for the three trivalent oxidation states of carbon, trityl and xanthyl systems are atypical models for comparing transmission of electron demand in other series of carbocations, radicals or carbanions with significantly different structures. The 9-arylxanthyl series is especially poor because of its insensitivity to substituent effects. The effects of substituents on various properties which represent the stabilities of R+s correlate surprisingly well against those for corresponding R-s. Accordingly, compensating effects on the oxidation and reduction of a series of related R.s may lead to a nearly constant electron transfer energy and absolute hardness for the series. In contrast, the free energies for interconversion of the carbocations and carbanions which determine the gap between pKR+. and pKHA are very sensitive to structural change.

Electrophilic Reactions of Xanthylium Carbocations Produced by Flash Photolysis of 9-Xanthenols

The xanthylium ion and eight 9-aryl derivatives (p-MeO, p-Me, m-Me, H, p-F, m-MeO, p-Cl, and p-CF3 phenyl) were produced in 1:4 acetonitrile/water by flash photolysis of the corresponding 9-xanthenols.The identifications of the transients as xanthylium ca