(S)-(+)-1-(2-Bromo­phen­yl)ethanol

The title compound, C8H9BrO, crystallizes with two mol­ecules in the asymmetric unit. The structure displays O—H⋯O hydrogen bonding, generating zigzag chains evolving around a screw axis along [100]

Crystal structure of N-[(1S,2S)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide

The title compound, C15H24N2O2S, was synthesized via a substitution reaction between the enanti­opure (1S,2S)-(+)-1,2-di­amino­cyclo­hexane and 2,4,6-tri­methyl­benzene-1-sulfonyl chloride. The cyclo­hexyl and phenyl substituents are oriented gauche around the sulfonamide S-N bond. In the crystal, mol­ecules are linked via N-HN hydrogen bonds, forming chains propagating along [100]

Crystal Structure of a Polysamarium (III) Nitrate Chain Crosslinked by a Di-CMPO Ligand

In the title compound poly[aqua­bis­(-nitrato-4O,O\u27:O,O\u27\u27)tetra­kis­(nitrato-2O,O\u27){4-tetra­ethyl [(ethane-1,2-diyl)bis(aza­nedi­yl)bis­(2-oxo­ethane-2,1-di­yl)]di­phospho­nate-2O,O\u27}disamarium(III)], [Sm2(NO3)6(C14H30N2O8P2)(H2O)]n, a 12-coordinate SmIII and a nine-coordinate SmIII cation are alternately linked via shared bis-bidentate nitrate anions into a corrugated chain extending parallel to the a axis. The nine-coordinate SmIII atom of this chain is also chelated by a bidentate, yet flexible, carbamoyl­methyl­phoshine oxide (CMPO) ligand and bears one water mol­ecule. This water mol­ecule is hydrogen bonded to nitrate groups bonded to the 12-coordinate SmIII cation. The CMPO ligand, which lies about an inversion center, links neighboring chains along the c axis, forming sheets parallel to the ac plane. Hydrogen bonds between the amide NH group and metal-bound nitrate anions are also present in these sheets. The sheets are packed along the b axis through only van der Waals inter­actions

Self Assembly of Copper(I) and Silver(I) Butterfly Clusters with 2-Mercaptothiazoline

X-ray data obtained from poor crystals which formed from the reaction of copper(II) acetate with 2-mercaptothiazoline reveal the formation of a product that is a polymer formed of tetranuclear, butterfly shaped Cu4(MT)4, 1, clusters. Preparation, isolation and structural characterization of a series of isostructural butterfly complexes was accomplished by addition of a Lewis base (pyridine, PPh3, or ASPI13) to the precipitate obtained from the reaction of copper(II) and/or silver(I) acetate with the appropriate stoichiometric amount of 2-mercaptothiazoline. The general formula of these clusters is L2M4(MT)4; 2, L = PPI13 and M = Cu; 3, L = AsPh3 and M = Cu; 6, L = PPI13 and M = Ag; MT = C3H4NS2_, known as 2-mer- captothiazolinate. The polymer [pyCu4(MT)4]„, 4, formed by the addition of pyridine to 1, was also characterized crystallographically. A mixed metal butterfly complex, (PPh3)2Ag2Cu2(MT)4, 8, is formed by addition of PPI13 to a suspension of the precipitate formed upon reaction of the free HMT ligand with a 1:1 mixture of copper(II) and silver(I) acetates in CH2CI2. FD-MS results of each of the precipitates obtained from the metal acetates and the free ligand indicate that the monomeric unit is M4(MT)4. 1H-NMR and 31P{1H}-NMR, both in solution and in the solid state are presented and interpreted

(Ferrocenyl­thio­phospho­nato-κS)(triphenyl­phosphane-κP)gold(I) dichloro­methane monosolvate

In the title compound, [AuFe(C5H5)(C5H5O2PS)(C18H15P)]·CH2Cl2, the two-coordinate gold(I) atom shows a slightly distorted linear arrangement, with a P—Au—S bond angle of 176.81 (6)°. The difference in P=O and P—O(H) bond lengths, which are 1.503 (6) and 1.541 (5) Å, respectively, implies there is apparently no delocalization between the P—O bonds, and the proton appears to be localized on one O atom only. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link dinuclear mol­ecules into chains propagated in the [010] direction. The dichloro­methane solvent mol­ecule was disordered between two positions in a 0.63 (3):0.37 (3) ratio

Optimization of tricyclic Nec-3 necroptosis inhibitors for in vitro liver microsomal stability

Necroptosis is a regulated caspase-independent cell death pathway with morphological features resembling passive non-regulated necrosis. Several diverse structure classes of necroptosis inhibitors have been reported to date, including a series of 3,3a,4,5-tetrahydro-2H-benz[g]indazoles (referred to as the Nec-3 series) displaying potent activity in cellular assays. However, evaluation of the tricyclic necroptosis inhibitor’s stability in mouse liver microsomes indicated that they were rapidly degraded. A structure–activity relationship (SAR) study of this compound series revealed that increased liver microsomal stability could be accomplished by modification of the pendent phenyl ring and by introduction of a hydrophilic substituent (i.e., ?-hydroxyl) to the acetamide at the 2-position of the tricyclic ring without significantly compromising necroptosis inhibitory activity. Further increases in microsomal stability could be achieved by utilizing the 5,5-dioxo-3-phenyl-2,3,3a,4-tetrahydro-[1]benzothiopyrano[4,3-c]pyrazoles. However, in this case necroptosis inhibitory activity was not maintained. Overall, these results provide a strategy for generating potent and metabolically stable tricyclic necrostatin analogs (e.g., 33, LDN-193191) potentially suitable for in vivo studies