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1.  Dimethyl 2-[2-(2,4,6-tri­chloro­phen­yl)hydrazin-1-yl­idene]butane­dioate 
In the title compound, C12H11Cl3N2O4, the dihedral angle between the aromatic ring and the hydrazine (NH—N=C) grouping is 52.2 (3)°. The butanedioate groups exhibit planar conformations. An intra­molecular N—H⋯O hydrogen bond links the N—H group of the hydrazine to one of the meth­oxy groups of the butane­dioate moiety. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and π–π inter­actions are also observed [centroid–centroid separation = 3.535 (1) Å].
doi:10.1107/S160053681303242X
PMCID: PMC3914063  PMID: 24526964
2.  5-(5′-Fluoro-2′-meth­oxy­biphenyl-3-yl)-1,3,4-oxa­diazol-2-amine 
In the title compound, C15H12FN3O2, the dihedral angles between the central benzene ring and the pendant benzene and oxa­diazole rings are 45.05 (13) and 15.60 (14)°, respectively. The C atom of the meth­oxy group is roughly coplanar with its attached ring [displacement = 0.178 (4) Å]. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into [010] chains. Weak C—H⋯π inter­actions are also observed.
doi:10.1107/S1600536813031206
PMCID: PMC3885053  PMID: 24454229
3.  (Z)-3-Methyl-4-[1-(4-methyl­anilino)propyl­idene]-1-phenyl-1H-pyrazol-5(4H)-one 
In the title mol­ecule, C20H21N3O, the central pyrazole ring forms dihedral angles of 4.75 (9) and 49.11 (9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76 (8)°. The amino group and carbonyl O atom are involved in an intra­molecular N—H⋯O hydrogen bond. In the crystal, π–π inter­actions are observed between benzene rings [centroid–centroid seperation = 3.892 (2) Å] and pyrazole rings [centroid–centroid seperation = 3.626 (2) Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60 (4):0.40 (4) ratio.
doi:10.1107/S1600536813019144
PMCID: PMC3793766  PMID: 24109353
4.  (2Z)-3-(2,4-Di­chloro­phen­yl)-3-hy­droxy-N-phenyl­prop-2-ene­thio­amide 
In the title mol­ecule, C15H11Cl2NOS, the dihedral angle between the phenyl and benzene rings is 72.24 (1)°. In the crystal, pairs of N—H⋯S hydrogen bonds form dimers with twofold rotational symmetry. The dimers are connected by weak C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). An intra­molecular O—H⋯S hydrogen bond is also observed.
doi:10.1107/S1600536813017339
PMCID: PMC3770432  PMID: 24046717
5.  2-Benzoyl-4-chloro­phenyl benzoate 
In the title compound, C20H13ClO3, the dihedral angles between the benzoate and the chloro­benzene and benzoyl rings are 68.82 (5) and 53.76 (6)°, respectively, while the dihedral angle between the benzoyl and benzoate rings is 81.17 (5)°. The eight atoms of the benzoyl residue are essentially planar with the exception of the O atom which lies 0.1860 (5) Å out of their mean plane (r.m.s. deviation = 0.97 Å). The nine atoms of benzoate residue are also essentially planar (r.m.s. deviation = 0.20 Å) with the ester O atom showing the greatest deviation [0.407 (12) Å] from their mean plane. In the crystal, mol­ecules are connected into centrosymmetric dimers by pairs of C—H⋯O hydrogen bonds.
doi:10.1107/S1600536813014396
PMCID: PMC3685129  PMID: 23795148
6.  2-(1-Amino-4-tert-butyl­cyclo­hex­yl)acetic acid (tBu-β3,3-Ac6c) hemihydrate1  
The title compound, C12H23NO2·0.5H2O, crystallized with two 2-(1-amino-4-tert-butylcyclohexyl)acetic acid mol­ecules, which are present as zwitterions, and one water mol­ecule in the asymmetric unit. The mol­ecular structure of each zwitterion is stabilized by an intra­molecular six-membered (C 6 ) N—H⋯O hydrogen bond. In the crystal, the two independent zwitterions are linked head-to-head by N—H⋯O hydrogen bonds. Further O—H⋯O and N—H⋯O hydrogen bonds link the zwitterions and the water molecules, forming sandwich-like layers, with a hydrophilic filling and a hydrophobic exterior, lying parallel to the ab plane.
doi:10.1107/S1600536813012725
PMCID: PMC3685045  PMID: 23795064
7.  TrkB Receptor Signalling: Implications in Neurodegenerative, Psychiatric and Proliferative Disorders 
The Trk family of receptors play a wide variety of roles in physiological and disease processes in both neuronal and non-neuronal tissues. Amongst these the TrkB receptor in particular has attracted major attention due to its critical role in signalling for brain derived neurotrophic factor (BDNF), neurotrophin-3 (NT3) and neurotrophin-4 (NT4). TrkB signalling is indispensable for the survival, development and synaptic plasticity of several subtypes of neurons in the nervous system. Substantial evidence has emerged over the last decade about the involvement of aberrant TrkB signalling and its compromise in various neuropsychiatric and degenerative conditions. Unusual changes in TrkB signalling pathway have also been observed and implicated in a range of cancers. Variations in TrkB pathway have been observed in obesity and hyperphagia related disorders as well. Both BDNF and TrkB have been shown to play critical roles in the survival of retinal ganglion cells in the retina. The ability to specifically modulate TrkB signalling can be critical in various pathological scenarios associated with this pathway. In this review, we discuss the mechanisms underlying TrkB signalling, disease implications and explore plausible ameliorative or preventive approaches.
doi:10.3390/ijms140510122
PMCID: PMC3676832  PMID: 23670594
neurotrophins; neurodegenerative disorders; psychiatric disorders; cancer; retina; glaucoma; TrkB receptor; BDNF; Shp2 phosphatase
8.  3-Methyl-4-{(E)-[4-(methyl­sulfan­yl)benzyl­idene]amino}-1H-1,2,4-triazole-5(4H)-thione 
In the title mol­ecule, C11H12N4S2, the dihedral angle between the triazole and benzene rings is 21.31 (5)°. A weak intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, pairs of N—H⋯S hydrogen bonds form inversion dimers. In addition, π–π inter­actions are observed between the benzene rings, with a centroid–centroid separation of 3.7599 (11) Å.
doi:10.1107/S1600536813009690
PMCID: PMC3648251  PMID: 23723871
9.  4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione 
In the title mol­ecule, C10H12N4SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth­oxy group is approximtely coplanar with the benzene ring with a C C—O—Cmeth­yl torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related mol­ecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).
doi:10.1107/S1600536813009859
PMCID: PMC3648260  PMID: 23723880
10.  (R)-2-Cyano-N-(1-phenyl­eth­yl)acetamide 
In the title compound, C11H12N2O, the dihedral angle between the acetamide group and the benzene ring is 68.7 (1)°. In the crystal, N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into chains along the a-axis direction.
doi:10.1107/S1600536813008131
PMCID: PMC3647851  PMID: 23723817
11.  Ethyl 2-(quinolin-8-yl­oxy)acetate monohydrate 
In the title compound, C13H13NO3·H2O, the dihedral angle between the ethyl ester group [C—C—O—C(=O); maximum deviation = 0.003 (2) Å] and the quinoline ring system is 7.94 (12)°. The water solvent mol­ecule is linked to the title mol­ecule via O—H⋯O and O—H⋯N hydrogen bonds. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains propagating along [100].
doi:10.1107/S1600536813008106
PMCID: PMC3629657  PMID: 23634144
12.  5-Bromo-2-chloro­pyrimidin-4-amine 
In the title compound, C4H3BrClN3, the pyrimidine ring is essentially planar (r.m.s. deviation from the plane = 0.087 Å). In the crystal, pairs of N—H⋯N hydrogen bonds connect the mol­ecules into inversion dimers; these are connected by further N—H⋯N hydrogen bonds into a two-dimensional framework parallel to the bc plane.
doi:10.1107/S1600536813007228
PMCID: PMC3629628  PMID: 23634115
13.  Ethyl 2,6-bis­(4-chloro­phen­yl)-4-(4-fluoro­anilino)-1-(4-fluoro­phen­yl)-1,2,5,6-tetra­hydro­pyridine-3-carboxyl­ate 
In the title compound, C32H26Cl2F2N2O2, the tetra­hydro­pyridine ring adopts a distorted boat conformation. The chlorophenyl rings are inclined to one another by 55.2 (1)°, while for the fluorophenyl rings the dihedral angle is 80.7 (1)°. The amino group and carbonyl O atom are involved in an intra­molecular N—H⋯O hydrogen bond. In the crystal, weak C—H⋯O, C—H⋯F and C—H⋯Cl inter­actions link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536813006090
PMCID: PMC3629536  PMID: 23634054
14.  Ethyl 2,6-bis­(4-chloro­phen­yl)-4-(4-methyl­anilino)-1-(4-methyl­phen­yl)-1,2,5,6-tetra­hydro­pyridine-3-carboxyl­ate 
In the title mol­ecule, C34H32Cl2N2O2, the tetra­hydro­pyridine ring adopts a distorted boat conformation and both 4-chloro­phenyl substituents are in axial positions. An intra­molecular N—H⋯O hydrogen bond is formed by the amino group and carbonyl O atom. In the crystal, weak C—H⋯Cl inter­actions link the mol­ecules into chains along [010].
doi:10.1107/S1600536813005126
PMCID: PMC3588410  PMID: 23476622
15.  2-[(Dimethyl­amino)­methyl­idene]propane­dinitrile 
In the title moleclue, C6H7N3, the mean plane of the dimethyl­amino group [maximum deviation = 0.006 (2) Å] forms a dihedral angle of 7.95 (18)° with the mean plane of the propane­dinitrile fragment [maximum deviation = 0.008 (2) Å]. In the crystal, weak C—H⋯N hydrogen bonds link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536813004960
PMCID: PMC3588480  PMID: 23476604
16.  2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile 
In the title mol­ecule, C19H17F3N2O2, the fused cyclo­hexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F atoms of the trifluoro­methyl group were refined as disordered over three sets of sites in a 0.507 (7):0.330 (7):0.163 (3) ratio. In the crystal, mol­ecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds and these dimers are further linked by N—H⋯O hydrogen bonds into a two-dimensional network parallel to (100).
doi:10.1107/S1600536813004522
PMCID: PMC3588544  PMID: 23476593
17.  Methyl 4-(4-fluoro­anilino)-1,2,6-tris­(4-fluoro­phen­yl)-1,2,5,6-tetra­hydro­pyri­dine-3-carboxyl­ate 
In the title mol­ecule, C31H24F4N2O2, the tetra­hydro­pyridine ring adopts a distorted boat conformation. An intra­molecular N—H⋯O hydrogen bond is formed by the amino group and ccarboxyl C=O atom. The crystal structure features weak C—H⋯F and C—H⋯O inter­actions.
doi:10.1107/S160053681300370X
PMCID: PMC3588473  PMID: 23476561
18.  9-(3,4-Dimeth­oxy­phen­yl)-3,3,6,6-tetra­methyl-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione 
The asymmetric unit of the title compound, C25H31NO4, contains two independent mol­ecules. In one mol­ecule, the benzene ring and an attached meth­oxy group were refined as disordered over two sets of sites in a 0.65 (4): 0.35 (4) ratio. In both mol­ecules, the central ring of the acridinedione system adopts a flattened boat conformation. The four essentially planar atoms of this ring [maximum deviations = 0.006 (5) Å in both mol­ecules] forms dihedral angles of 86.8 (2) and 87.6 (2)°, respectively, with the major and minor components in the disordered benzene ring and 87.3 (2)° with the benzene ring in the fully ordered mol­ecule. The two outer rings of the acridinedione system adopt sofa conformations in both mol­ecules. In the crystal, N—H⋯O hydrogen bonds form two independent chains along [100]. C—H⋯O hydrogen bonds link the chains, forming a three-dimensional network.
doi:10.1107/S1600536813002250
PMCID: PMC3569818  PMID: 23424564
19.  Ethyl 4-anilino-2,6-bis­(4-fluoro­phen­yl)-1-phenyl-1,2,5,6-tetra­hydro­pyridine-3-carboxyl­ate 
In the title compound, C32H28F2N2O2, the tetra­hydro­pyridine ring adopts a distorted boat conformation. The two fluoro­phenyl groups are attached to the tetra­hydro­pyridine ring in a trans orientation. The dihedral angle between the planes of the fluoro-substituted rings is 57.0 (1)°. The amino group and carbonyl O atom are involved in intra­molecular hydrogen bonding. In the crystal, weak C—H⋯O, C—H⋯F and C—H⋯π inter­actions link the mol­ecules into columns along [010].
doi:10.1107/S1600536813002158
PMCID: PMC3569819  PMID: 23424565
20.  5-Benzoyl-4-(4-fluoro­phen­yl)-3,4-dihydro­pyrimidin-2(1H)-one 
In the title mol­ecule, C17H13FN2O2, the 3,4-dihydro­pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro­phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281 (2) Å. This plane forms dihedral angles of 85.98 (6) and 60.63 (6)° with the 4-fluoro­phenyl and benzoyl-phenyl rings, respectively. The dihedral angle between the 4-fluoro­phenyl group and the benzene ring is 71.78 (6)°. In the crystal, N—H⋯O hydrogen bonds link mol­ecules into inversion dimers that are further connected by another N—H⋯O inter­action into a two-dimensional supra­molecular structure parallel to (101).
doi:10.1107/S1600536812052105
PMCID: PMC3569257  PMID: 23424480
21.  Anterograde Degeneration along the Visual Pathway after Optic Nerve Injury 
PLoS ONE  2012;7(12):e52061.
Purpose
To investigate anterograde degenerative changes along the visual pathway in a rat model of optic nerve axotomy.
Methods
Optic nerve transection was performed in adult Sprague-Dawley rats. Animals were sacrificed at regular time intervals and tissues harvested. Immunoblotting followed by densitometric analysis was used to determine the phosphorylation profile of Akt in the dorsal lateral geniculate nucleus (dLGN) and the primary visual cortex (V1). The neuronal cell size and cell density were measured in the dLGN and the V1 using Nissl staining. The prevalence of apoptosis was characterized by terminal deoxynucleotidyl-transferase-mediated biotin-dUTP nick end labelling (TUNEL) histochemistry. Caspase-3 antibodies were also used to identify apoptotic cells. Neurons and astrocytes were detected using NeuN and glial fibrillary acidic protein (GFAP), respectively.
Results
An early and sustained loss of Akt phosphorylation was observed after optic nerve transection in both dLGN and V1. At week one, a decrease in the neuronal cell size (50.5±4.9 vs 60.3±5.0 µm2, P = 0.042) and an increase of TUNEL positive cells (7.9±0.6 vs 1.4±0.5 ×102 cells/mm2, P<0.001) were evident in the dLGN but not in V1. A significant decline in neuronal cell number (14.5±0.1 vs 17.4±1.3 ×102 cells/mm2, P = 0.048), cell size (42.5±4.3 vs 62.1±4.7 µm2, P = 0.001) and an increase in apoptotic cells (5.6±0.5 vs 2.0±0.4 ×102 cells/mm2, P<0.001) appeared in V1 initially at one month post-transection. The changes in the visual pathway continued through two months. Both neuronal cells and GFAP-positive glial cells were affected in this anterograde degeneration along the visual pathway.
Conclusions
Anterograde degeneration along the visual pathway takes place in target relay (LGN) and visual cortex following the optic nerve injury. Apoptosis was observed in both neural and adjacent glial cells. Reduction of Akt phosphorylation preceded cellular and apoptotic changes.
doi:10.1371/journal.pone.0052061
PMCID: PMC3530579  PMID: 23300590
22.  A second monoclinic polymorph of 4-[(E)-(4-benzyl­oxybenzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one 
In the title compound, C25H23N3O2, the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349.5 (15)°. In the crystal, mol­ecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012 ▶). Acta Cryst. E68, o1324].
doi:10.1107/S1600536812050891
PMCID: PMC3588271  PMID: 23476378
23.  2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile 
In the title mol­ecule, C19H18F3N3O, the dihydro­pyridine and cyclo­hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro­pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro­methyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N—H⋯O and N—H⋯N hydrogen bonds link mol­ecules into a two-dimensional network parallel to (100).
doi:10.1107/S1600536812050684
PMCID: PMC3588344  PMID: 23476367
24.  9-(4-Hy­droxy-3-meth­oxy­phen­yl)-3,3,6,6-tetra­methyl-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione 
In the title mol­ecule, C24H29NO4, the central ring of the acridinedione system adopts a flat boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.001 (2) Å] form a dihedral angle of 85.99 (12)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules, forming a two-dimensional network parallel to (100).
doi:10.1107/S1600536812050568
PMCID: PMC3588262  PMID: 23476363
25.  9-(3-Fluoro­phen­yl)-3,3,6,6-tetra­methyl-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione 
In the title mol­ecule, C23H26FNO2, the central ring of the acridinedione system adopts a slight boat conformation and the four essentially planar atoms of this ring [maximum deviation = 0.019 (1) Å] form a dihedral angle of 89.98 (6)° with the benzene ring. The two outer rings of the acridinedione system adopt sofa conformations. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules, forming chains along [001].
doi:10.1107/S1600536812050556
PMCID: PMC3588345  PMID: 23476364

Results 1-25 (81)