2-(2,3,5,6-Tetrafluoro-4-iodoanilino)ethanol

C3sc50242b 2349..2356

Polarizability is a key molecular property controlling induction and dispersion forces in molecules, and atomic polarizabilities in molecules are widely used elements both in qualitative schemes for understanding molecular interactions and in quantitative methods for modeling them. Unfortunately, experimental probes of local polarizability are not readily available. Here we predict the polariza...

Notes in Artificial Intelligence 2356

Tetraethyl 2,2′-(2,3,5,6-tetrafluoro-p-phenylenedimethylene)dipropanoate1

In the mol-ecule of the title compound, C(22)H(26)F(4)O(8), a crystallographic inversion centre is located at the centroid of the benzene ring. C-H⋯F and C-H⋯O intra-molecular hydrogen bonds are observed as well as an inter-molecular C-H⋯O inter-action.

Characterization of IDN-6556 (3-[2-(2-tert-butyl-phenylaminooxalyl)-amino]-propionylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid): a liver-targeted caspase inhibitor.

The potency, efficacy, and pharmacokinetic properties of IDN-6556 (3-[2-[(2-tert-butyl-phenylaminooxalyl)-amino]-propionylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid), a first-in-class caspase inhibitor in clinical trials for the treatment of liver diseases, were characterized in vivo in rodent models. In the mouse alpha-Fas model of liver injury, i.p. administration of IDN-6556...

The structures of m-benzyne and tetrafluoro-m-benzyne.

The structures of m-benzyne and its fluorinated derivative, tetrafluoro-m-benzyne, were investigated using coupled cluster methods including triple excitations [CCSD(T) and CCSDT], different reference wave functions (spin-restricted Hartree-Fock, spin-unrestricted Hartree-Fock, and Brueckner), and different basis sets [6-31G(d,p) and correlation-consistent valence triple-zeta (cc-pVTZ)]. The in...