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N,N'-Bis(3-methylbut-2-enyl)-N,N'-(1,4-phenylene)dibenzenesulfonamide.

ABSTRACT: The complete mol-ecule of the title compound, C(28)H(32)N(2)O(4)S(2), is generated by a crystallographic inversion centre. The dihedral angle between the central and pendant aromatic rings is 46.78 (7)°. The C(ar)-S-N-C(ar) (ar = aromatic) torsion angle is 73.64 (15)° and the bond-angle sum for the N atom is 350.4°. In the crystal, weak C-H⋯O inter-actions link the mol-ecules, forming a two-dimensional network lying parallel to the bc plane.

SUBMITTER: Ejaz

PROVIDER: S-EPMC3238938 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,4'-(4,5-dimethyl-1,2-phenylene)bis(2-methylbut-3-yn-2-ol): structural variation in vicinal dialkynols.

Project description:The structure of the title compound, C(18)H(22)O(2), contains two non-equivalent molecules which differ primarily in the location of the -OH groups on opposite sides or on the same side of the molecular plane. Inversion-symmetric pairs of molecules form intermolecular O-H...O hydrogen-bonded tetrameric synthons that link non-equivalent molecules into an approximately square double layer parallel to (-102). Recently reported fluorinated analogues [Kane, Meyers, Yu, Gerken & Etzkorn (2011). Eur. J. Org. Chem. pp. 2969-2980] have significantly different structures of varying complexity that incorporate intramolecular hydrogen bonding and suggest that further study of structure versus substituents in vicinal dialkynols could be fruitful.

| S-EPMC3338315 | biostudies-other

An unusual case of OD-allotwinning: 9,9′-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]

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| S-EPMC5289307 | biostudies-literature

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Project description:The title compound, [Sm(C(25)H(35)N(2))(C(14)H(24)Si(2))(C(4)H(8)O)]·C(7)H(8), was prepared by treatment of anhydrous samarium trichloride with a 1:1 mixture of in situ-prepared Li(DippForm) [DippFormH = N,N'-bis-(2,6-diisopropyl-phen-yl)methanimidamide] and Li(2)(COT'') [COT'' = 1,4-bis-(trimethyl-sil-yl)cyclo-octa-tetra-enyl] in tetra-hydro-furan (THF). Despite the presence of two very bulky ligands (COT'' and DippForm), the mol-ecule still contains one coordinated THF ligand. The overall coordination geometry around the Sm(III) atom resembles a three-legged piano-stool with the COT'' ligand being ?(8)-coordinated and the DippForm(-) anion acting as an N,N'-chelating ligand [Sm-N = 2.5555?(15) and 2.4699?(15)?Å]. The asymmetric unit also contains a disordered mol-ecule of toluene, the refined ratio of the two components being 0.80?(4):0.20?(4).

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| S-EPMC10426183 | biostudies-literature

Microbial (E)-4-hydroxy-3-methylbut-2-enyl pyrophosphate reductase (IspH) and its biotechnological potential: A mini review.

Project description:(E)-4-hydroxy-3-methylbut-2-enyl pyrophosphate (HMBPP) reductase (IspH) is a [4Fe-4S] cluster-containing enzyme, involved in isoprenoid biosynthesis as the final enzyme of the methylerythritol phosphate (MEP) pathway found in many bacteria and malaria parasites. In recent years, many studies have revealed that isoprenoid compounds are an alternative to petroleum-derived fuels. Thus, ecofriendly methods harnessing the methylerythritol phosphate pathway in microbes to synthesize isoprenoid compounds and IspH itself have received notable attention from researchers. In addition to its applications in the field of biosynthesis, IspH is considered to be an attractive drug target for infectious diseases such as malaria and tuberculosis due to its survivability in most pathogenic bacterium and its absence in humans. In this mini-review, we summarize previous reports that have systematically illuminated the fundamental and structural properties, substrate binding and catalysis, proposed catalytic mechanism, and novel catalytic activities of IspH. Potential bioengineering and biotechnological applications of IspH are also discussed.

| S-EPMC9745026 | biostudies-literature

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| S-EPMC6879371 | biostudies-literature

catena-Poly[[diaqua-(2,2'-bipyridine-?N,N')zinc]-?-2,2'-[1,4-phenylene-bis(sulfanedi-yl)]diacetato-?O:O'].

Project description:In the polymeric title complex, [Zn(C(10)H(8)O(4)S(2))(C(10)H(8)N(2))(H(2)O)(2)](n), the Zn(2+) ion lies on a twofold rotation axis and exhibits an octa-hedral environment, in which it is coordinated by two trans O atoms from two symmetry-related 2,2'-[1,4-phenyl-enebis(sulfanedi-yl)]diacetate anions, two N atoms from one 2,2'-bipyridine ligand, and two cis O atoms from water mol-ecules. The dihedral angle between the two pyridine rings is 11.5?(1)°. Adjacent Zn(2+) ions are bridged in a monodentate manner by the diacetate anions, forming a chain structure extending parallel to [101], and are further linked into the final three-dimensional structure by O-H?O hydrogen bonds between the coordinating water mol-ecules as donor and the non-coordinating carboxyl-ate O atoms as acceptor atoms.

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Synthesis and Photophysical and Electroluminescent Properties of Poly(1,4-phenylene-ethynylene)-alt-poly(1,4-phenylene-vinylene)s with Various Dissymmetric Substitution of Alkoxy Side Chains.

Project description:The synthesis and characterization of a set of conjugated polymers, poly(1,4-phenylene-ethynylene)-alt-poly(1,4-phenylene-vinylene)s (PPE-PPVs), with a dissymmetrical configuration (partial or total) of alkoxy side chains is reported. Five new polymers bearing octyloxy and/or octadecyloxy side chains at the phenylene-ethynylene and phenylene-vinylene segments, respectively, were obtained. Two symmetrical substituted polymers were used for comparison. Polymers with weight-average molecular weight, Mw, up to 430 000 g/mol and degree of polymerization between 17 and 322 were obtained by a Horner-Wadsworth-Emmons olefination polycondensation reaction of the respective luminophoric dialdehydes and bisphosphonates. As expected, identical conjugated backbones in all polymers results in very similar photophysical response in dilute solution, with high fluorescence quantum yields between 50% and 80%. In contrast, the thin film properties are dependent on the combinatorial effects of side chain configuration, molecular weight, and film thickness parameters, which are the basis of the resulting comparison and discussion.

| S-EPMC4730230 | biostudies-literature

IspG converts an epoxide substrate analogue to (E)-4-hydroxy-3-methylbut-2-enyl diphosphate: implications for IspG catalysis in isoprenoid biosynthesis.

Project description:IspG is an intriguing enzyme in bacteria, parasite, and plant isoprenoid biosynthesis, and its catalytic mechanism remains elusive. We report here the synthesis of (2R,3R)-4-hydroxy-3-methyl-2,3-epoxybutanyl diphosphate (Epoxy-HMBPP), a proposed intermediate in one of the frequently cited mechanistic models. We have also demonstrated that this epoxide analogue is a catalytically competent IspG substrate. This study represents the first mechanistic study of this important enzyme.

| S-EPMC5726269 | biostudies-literature

Molecular cloning and functional identification of a cDNA encoding 4-hydroxy-3-methylbut-2-enyl diphosphate reductase from Tripterygium wilfordii.

Project description:The 4-hydroxy-3-methylbut-2-enyl diphosphate reductase (HDR) is the last step key enzyme of the methylerythritol phosphate (MEP) pathway, synthesizing isopentenyl diphosphate and its allyl isomer dimethylallyl diphosphate, which is important for regulation of isoprenoid biosynthesis. Here the full-length cDNA of HDR, designated TwHDR (GenBank Accession No. KJ933412.1), was isolated from Tripterygium wilfordii for the first time. TwHDR has an open reading frame (ORF) of 1386 bp encoding 461 amino acids. TwHDR exhibits high homology with HDRs of other plants, with an N-terminal conserved domain and three conserved cysteine residues. TwHDR cDNA was cloned into an expression vector and transformed into an Escherichia coli hdr mutant. Since loss-of-function E.coli hdr mutant is lethal, the result showed that transformation of TwHDR cDNA rescued the E.coli hdr mutant. This complementation assay suggests that the TwHDR cDNA encodes a functional HDR enzyme. The expression of TwHDR was induced by methyl-jasmonate (MJ) in T. wilfordii suspension cells. The expression of TwHDR reached the highest level after 1 h of MJ treatment. These results indicate that we have identified a functional TwHDR enzyme, which may play a pivotal role in the biosynthesis of diterpenoid triptolide in T. wilfordii.

| S-EPMC5343154 | biostudies-literature

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