62778-80-7

Upstream product

• 203246-60-0 N,N-dimethyl(4-{[4-(N,N-dimethylcarbamoyl)phenyl]disulfanyl}phenyl)carboxamide 
• 1074-36-8 4-mercaptobenzoic acid 
• 68-12-2 N,N-dimethyl-formamide 
• 118362-26-8 4-Methanesulfinyl-N,N-dimethyl-benzamide 

Downstream Products

• 329926-88-7 (R)-N-(2-methyl-3-fluoro-4-[4-N,N-dimethylcarbamoylphenyl]sulphanylphenyl)-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide 

Relevant academic research and scientific papers

Multi-State Dynamic Coordination Complexes Interconverted through Counterion-Controlled Phase Transfer

We studied a series of dynamic weak-link approach (WLA) complexes that can be shuttled between two immiscible solvents and switched between two structural states via ion exchange. Here, we established that hydrophobic anions transfer cationic, amphiphilic complexes from the aqueous phase to the organic phase, while a chloride source reverses the process. As a result of the dynamic metal coordination properties of WLA complexes, the denticity of these complexes (mono- to bi-) can be modulated as they partition into different phases. In addition, we discovered that heteroligated complexes bearing ligands of different donor strengths preferentially rearrange into two homoligated complexes that are phase-partitioned to maximize the number of stronger coordination bonds. This behavior is not observed in systems with one solvent, highlighting the dynamic and stimuli-responsive nature of hemilabile ligands in a multiphasic solvent environment. Taken together, this work shows that the highly reconfigurable WLA modality can enable the design of biphasic reaction networks or chemical separations driven by straightforward salt metathesis reactions.

Synthesis and structure-activity relationship of new cytotoxic agents targeting human glutathione-S-transferases

The 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)thio)hexan-1-ol (NBDHEX, 1), a "suicide inhibitor" of the glutathione-S-transferase GSTP1-1, showed pro-apoptotic properties in tumor cells, but in vivo studies were limited by poor bioavailability and high af finity towards GSTM2-2, expressed in many noncancerous tissues. Here we describe the synthesis and biological characterization of new 1 analogs (2-40), in which the hydroxyhexyl portion at the C4-sulfur atom has been replaced with phenylcontaining moieties as well as substituted alkyl chains. Some of the new compounds displayed 10-100 times increased water-solubility (8, 11, 17, 26-28, 34, 35), and most of them showed higher GSTP1- 1 selectivity (2-20, 23-26, 31-33, 35) than 1. The presence of a phenyl ring with polar substituents is in general associated, with some exceptions (23, 24) to low cytotoxicity in osteosarcoma U-2OS cells. Differently, some alkyl derivatives possess cytotoxicity comparable (26, 34, 35) or higher (30, 32) than 1. Among the novel compounds, selected ones (26, 27, 34, and 35) deserve further investigation for their anticancer potential.

NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES

The present invention relates to a compound which has a glucokinase-activating effect and is useful as a therapeutic agent for diabetes mellitus, being represented by a formula (I): [wherein X1 represents a nitrogen atom, sulfur atom, oxygen at

Substituted N-phenyl 2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivatives which elevate pyruvate dehydrogenase activity

A compound of formula (I) wherein: n is 1 or 2; R 1 is chloro, fluoro, bromo, methyl or methoxy; R 2 is as defined within; R 3 is as defined within; and R 4 is hydrogen or fluoro; or a pharmaceutically acceptable salt or an in vivo hydrolysable ester thereof is described. The use of compounds of formula (I) in the production of an elevation of PDH activity in a warm-blooded animal such as a human being are also described. Pharmaceutical compositions, methods and processes for preparation of compounds of formula (I) are detailed. STR1

Electronic properties of para-substituted thiophonols and disulfides from 13C NMR spectroscopy and ab initio calculations: Relations to the Hammett parameters and atomic charges

A large number of para-substituted benzene thiols and the corresponding disulfides were synthesized and characterized by 1H NMR, 13C NMR, and IR spectroscopies. Geometrics of all sixteen thiols and fourteen disulfide compounds were optimized at the B3LYP/6-31G(d) level, while the electronic structure and the 13C isotropic shifts were calculated by ab initio Hartree-Fock method coupled with the Gauge-Independent Atomic Orbital (GIAO) algorithm and a 6-31+G(d,p) basis set. The calculated 13C NMR isotropic shifts exhibit admirable agreement (δ rmsd ～4.6 ppm) with the experimental data. The chemical shift of para-substituted carbon showed a linear correlation with Hammett constants (σp and σn+). Using this methodology the σp+ constants for the dendritic ligands have been estimated to be 0.25 and 0.24 for 2(n) and 2(o), respectively. In addition, the NBO charges on the sulfur atoms shows a latent response with the σp+ parameter. The atomic charge on the thiophenolato sulfur is invariant with the electron withdrawing ability of the substituents, however, the charge increases with increasing electron-withdrawing power.