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1.
Synthesis and structure-activity relationships (SAR) of a novel series of vasopressin V1b (V3) antagonists are described. 2-(4-Oxo-2-aryl-quinazolin-3(4H)-yl)acetamides have been identified with low nanomolar affinity for the V1b receptor and good selectivity with respect to related receptors V1a, V2 and oxytocin (OT). Optimised compound 12j demonstrates a good pharmacokinetic profile and activity in a mechanistic model of HPA dysfunction.  相似文献   

2.
The reaction of W2Cl4[P(n-Bu)3]4 with bis(diphenylphosphino)methane (dppm) affords the highly air-sensitive material, W2Cl4(dppm)2, which has been characterized by IR and visible spectroscopy, and by X-ray crystallography. The compound crystallizes in the centrosymmetric space group C2/c with the following parameters: a = 17.298(3); b = 17.011- (2); c = 18.413(2) Å; β = 98.93(2); V = 5352(2) Å3; Z = 4. The molecule is positioned about a C2 axis which allows for a net torsion angle of 17.25° down the WW vector. This does not seem to significantly effect the WW bond distance (2.269(1) Å) relative to other quadruply bonded ditungsten species.  相似文献   

3.
Beyer EM 《Plant physiology》1975,56(2):273-278
The effects of various treatments on the recently reported system in pea (Pisum sativum cv. Alaska), which results in (a) the incorporation of 14C2H4 into the tissue and (b) the conversion of 14C2H4 to 14CO2, was investigated using 2-day-old etiolated seedlings which exhibit a maximum response. Heat treatment (80 C, 1 min) completely inhibited both a and b, whereas homogenization completely inhibited b but only partially inhibited a. Detaching the cotyledons from the root-shoot axis immediately before exposing the detached cotyledons together with the root-shoot axis to 14C2H4 markedly reduced both a and b. Increasing the 14C2H4 concentration from 0.14 to over 100 μl/l progressively increased the rate of a and b with tissue incorporation being greater than 14C2H4 to 14CO2 conversion only below 0.3 μl/l 14C2H4. Reduction of the O2 concentration reduced both a and b, with over 99% inhibition occurring under anaerobic conditions. The addition of CO2 (5%) severely inhibited 14C2H4 to 14CO2 conversion without significantly affecting tissue incorporation. Exposure of etiolated seedlings to fluorescent light during 14C2H4 treatment was without effect. Similarly, indoleacetic acid, gibberellic acid, benzyladenine, abscisic acid, and dibutyryl cyclic adenosine monophosphate had no significant effect on either a or b.  相似文献   

4.
《Inorganica chimica acta》1988,147(1):99-102
K2PtCl4 reacts with L-lysine and with D,L-diaminiopropionic acid (Dap) forming the neutral complexes [PtCl2(N,O-Lys)]·H20 (1) and [PtCl2(N,O-Dap)], (2) respectively.Compound 1 is monoclinic, space group P21 with a = 11.262(3), b = 11.041(2), c = 9.690(2) Å, β = 102.07(5)°, V = 1178(1) Å3 and Z = 4. Compound 2 is monoclinic, space group P21/n with a = 8.777(1), b = 10.615(2), c = 7.947(1) Å, β = 94.98(3)°, V = 738(1) Å3 and Z = 4. In both compounds, the zwitterionic ligands form an N,O-five membered chelate with the platinum atom. Structures 1 and 2 were refined to R values of 3.3% and 6.3% respectively.  相似文献   

5.
《Inorganica chimica acta》1988,145(2):225-229
A new molybdenum(0) dithiocarbamato complex [Et4N] [Mo(CO)4(S2CNEt2)] (1) has been synthesized by the reaction of Mo(CO)6, NaS2CNEt2 and Et4NCl in MeCN and characterized by routine elemental analysis, spectroscopy methods. The crystal and molecular structure of 1 was determined from X-ray three dimension data. 1 crystallizes in the orthorhombic, space group Pbc21 with a= 8.148(2), b=19.618(2), c=14.354(2) Å; V=2294 Å3; Z=4; R1=0.052, R2=0.058 for 1308 independent reflections with I ⩾ 3σ(I). The geometry around Mo(0) atom in the anion [Mo(CO)4(S2CNEt2)]- of 1 is distorted octahedral with a small SMoS of 67.70° and a small angle of 3.6° between plane MoSS and MoC(1)C(2). Two groups of MoCO bond distances and the longer MoS bond distance observed in 1 are similar to that in the dinuclear Mo(0) complexes containing SR bridges but very different from those observed in the dithiocarbamato complexes of Mo in higher oxidation states. Different oxidizing products containing Mo in II-V oxidation states Mo(CO)2(S2CNEt2)2, MoO(S2CNEt2)2, Mo2O3(S2CNEt2)4 and Mo2O4(S2CNEt2)2 were isolated from the oxidation of 1 with I2 (or in the presence of traces of air). The electrochemical behavior of 1 in MeCN was investigated by cyclic voltammetry at Pt and C electrodes. The anodic peaks observed at 0.04, 0.14, 0.26 and 0.44 V versus SCE implied that 1 probably underwent oxidation in company with dissociation of dithiocarbamate and substitution of carbonyls resulting in several complexes of Mo in different oxidation states. The relationship between reactivity and structure is also discussed.  相似文献   

6.
《Inorganica chimica acta》1988,147(2):189-197
Complexes of the M(en)3Ag2(CN)4 (M = Ni, Zn, Cd) and M(en)2Ag2(CN)4 (M = Ni, Cu, Zn, Cd) type were prepared and identified by elemental analysis, infrared spectroscopy, measurement of magnetic susceptibility, and X-ray powder diffractometry. The crystal structures of Ni(en)3Ag2(CN)4 (I) and Zn(en)2Ag2(CN)4 (II) were determined by the method of monocrystal structure analysis. Complex I crystallizes in the space group C2/c, a = 1.2639(5), b = 1.3739(4), c = 1.2494(4) nm, β = 113.25(4)°, Dm = 1.86(1), Dc = 1.86 gcm−3 Z = 4, R = 0.0429. The crystal structure of I consists of complex cations [Ni(en)3]2+ and complex anions [Ag(CN)2]. Complex II crystallizes in the space group I2/m, a = 0.9150(3), b = 1.3308(4), c = 0.6442(2) nm, β = 95.80(3)°, Dm = 2.14(1), Dc = 2.15 gcm−3, Z = 2, R = 0.0334. Its crystal structure consists of infinite, positively charged chains of the [-NCAgCNZn- (en)2]nn+ type and isolated [Ag(CN)2] anions. The atoms of Ag are positioned parallely to the z axis and the AgAg distance is equal to 0.3221(2) nm.  相似文献   

7.
The crystal structures of two copper(II) complexes of 4-fluorophenoxyacetic acid (4-FPAH) have been determined by X-ray diffraction. [Cu(4-FPA)2(H2O)2]·2(4-FPAH)·2H2O (1) is triclinic, space group P1 with Z = 1 in a cell of dimensions a = 14.808(2), b = 9.832(2), c = 6.847(2) Å, α = 87.77(2), β = 98.41(2), γ = 112.33(2)° and was refined to a residual of 0.038 for 1697 ‘observed’ reflections. The coordination sphere in this complex is tetragonally distorted octahedral comprising two waters [CuO, 1.940(3) Å], two unidentate carboxylate oxygens [CuO, 1.942(2) Å] and two ether oxygens [CuO, 2.471(2) Å]. Two adducted [4-FPAH] acid molecules are linked to the un-coordinated oxygens of the acid ligands by hydrogen bonds [2.547(4) Å]. [Cu2(4-FPA)4(2-aminopyrimidine)2] (2) is triclinic, space group P1 with Z = 1 in a cell of dimensions a = 12.688(2), b = 11.422(2), c = 7.951(1) Å, α = 78.74(1), β = 107.51(1), γ = 75.78(1)°, and was refined to a residual of 0.042 for 2683 ‘observed’ reflections. (2) is a centrosymmetric tetracarboxylate bridged dimer with four similar CuO (equatorial) distances [1.967–1.987 Å; 1.977(3) Å mean] and the axial position occupied by the hetero nitrogen of the 2-aminopyrimidine ligand [CuN, 2.176(3) Å]. The Cu---Cu separation is 2.710(1) Å. Crystal data are also presented which confirm the isostructurality of complex (2) with [Cu2(phenoxyacetate)4(2-aminopyrimidine)2], the CoII, MgII and MnII4-fluorophenoxyacetate complexes with their phenoxyacetic and 4-chlorophenoxyacetic acid analogues, and of CdII4-fluorophenoxyacetate with CdII and ZnII phenoxyacetates.  相似文献   

8.
The title compounds were made by reacting bis(diphenylphosphino)methane (dppm) with reduced solutions of OsCl64? and Ru2OCl104?. The crystal and molecular structures of these compounds have been determined form three-dimensional X-ray study. The cis-isomers crystallize with one CHCl3 per molecule of the complex. All three compounds crystallize in the monoclinic space group P21/n with unit cell dimensions as follows: Cis-OsCl2(dppm)2·CHCl3: a = 13.415(4) Å, b = 22.859(4) Å, c = 16.693(3) Å, β = 105.77(3)°, V = 4926(3) Å3, Z = 4. cis-RuCl2(dppm)2·CHCl3: a = 13.442(3) Å, b = 22.833(7) Å, c = 16.750(4) Å, β = 105.53(2)°, V = 4953(3) Å3, Z = 4. trans-RuCl2(dppm)2: a = 11.368(7) Å, b = 10.656(6) Å, c = 18.832(12) Å; β = 103.90(6)°, V = 2213(7) Å3; Z = 2. The structures were refined to R = 0.044 (Rw = 0.055) for cis-OsCl2(dppm)2·CHCl3; R = 0.065 (Rw = 0.079) for cis-RuCl2(dppm)2·CHCl3 and R = 0.028 (Rw = 0.038) for trans-RuCl2(dppm)2. The complexes are six coordinate with stable four-membered chelate rings. The PMP angle in the chelate rings is ca. 71° in each case.  相似文献   

9.
10.
Knoevenagel condensation of 4-(dimethylamino)benzaldehyde with 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) gives the donor-acceptor ligand 2-(4-dimethylaminobenzylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (dbpcd). The reaction of dbpcd with PtCl2(cod) affords the platinum(II) complex PtCl2(dbpcd) in high yield. The free dbpcd ligand and PtCl2(dbpcd) have been isolated and fully characterized in solution by IR and NMR spectroscopies, and the solid-state structure of PtCl2(dbpcd) determined by X-ray diffraction analysis. PtCl2(dbpcd), as the 1.5CH2Cl2 solvate, crystallizes in the triclinic space group , a = 11.7412(7) Å, b = 12.0486(7) Å, c = 14.4781(9) Å, α = 82.866(1), β = 75.049(1), γ = 83.905(1), V = 1957.6(2) Å3, Z = 2, and Dcalc = 1.678 mg/m3, R = 0.0291 and wR2 = 0.0723 for 8315 reflections with I > 2σ(I). The molecular structure of PtCl2(dbpcd)·1.5CH2Cl2 consists of a square-planar platinum architecture containing two chlorines and the ancillary dbpcd diphosphine ligand. The redox properties of the dbpcd ligand and PtCl2(dbpcd) have been explored by cyclic voltammetry, and these data are discussed with respect to extended Hückel MO calculations.  相似文献   

11.
The crystal structure of the title compound [Fe(bpz)3](ClO4)2 · H2O (bpz=2,2-bipyrazine) has been determined by a single crystal X-ray diffraction study at 293(2) K. The complex is monoclinic, P21/c, a=17.263(3), b=9.983(2), c=17.921(4) Å, β=107.94(3)°, V=2938.3(10) Å3, Z=4, R=0.073 and Rw=0.118. The structure is made up of tris-chelated [Fe(bpz)3]2+ cations, uncoordinated perchlorate anions and crystallization water molecules. The iron atom exhibits a FeN6 distorted octahedral geometry with average Fe-N bond length and N-Fe-N bidentate angle of 1.962(5) Å and 81.6(2)°. The value of the Fe-N bond distance and that of the room temperature magnetic moment are in agreement with a singlet 1A1 ground state. The structure of 1 is compared to those of other tris-chelated iron(II) complexes with bidentate nitrogen heterocycles.  相似文献   

12.
The title compound has been synthesized and subjected to crystal structure analysis. Mr = 548.50, m.p. 108.1 °C (decom.), orthorhombic, Im2m,a = 7.006(2), b = 8.938(2), c = 13.619(2) Å V = 852.8(3) Å3, Z = 2, Dx = 2.136, Dm, (flotation in CCl4/CH2I2) = 2.128 g cm?3, λ(Mo-Kα) = 0.71069 Å, μ = 90.79 cm?1, F(000) = 519.89, T = 295 K, final RF = 0.036 and RG = 0.044 for 566 observed reflections. The discrete [UO2F4(H20)]2? anion has site symmetry m2m, its virtually linear uranyl moiety being surrounded by fluoro and aquo ligands occupying the vertices of a pentagon in the equatorial plane. Watet molecules serve to link the complex anions by hydrogen bonds into layers, between which the organic cations are accommodated.  相似文献   

13.
The complexes LMoVIO2X [L?=?hydrotris(3,5-dimethylpyrazol-1-yl)borate; X?=?Cl, Br, NCS, OPh, SPh, SCH2Ph] are converted to air-stable complexes LMoVO(OSiMe3)X by one-electron coupled electron-electrophile transfer (CEET) reactions involving cobaltocene and the electrophilic reagent Me3SiCl. These complexes may also be obtained from LMoVO(OH)X by reaction with Me3SiCl in the presence of base. LMoVO(OSiMe3)(SCH2Ph) crystallises in space group P21/n, with a?=?8.526 (1) Å, b?=?23.141 (3) Å, c?=?16.499 (2) Å, β?=?103.75 (12)° and Z?=?4. The complex exhibits a distorted octahedral structure with a facially tridentate L ligand and mutually cis oxo [Mo=O?=?1.675 (4) Å], silyloxo [Mo–O?=?1.932 (4) Å] and thiolato [Mo–S?=?2.398 (2) Å] ligands. The detailed redox properties of LMoVO(OR)X (R?=?SiMe3, alkyl, aryl) differ from those of LMoVO(OH)X. Centres [MoVO(OR)] are candidates for the stable "inhibited" forms of certain molybdenum enzymes formed under conditions which apparently disfavour the catalytically active [MoVO(OH)] centres. In the coordinating solvent pyridine (py), both LMoVIO2(SPh) and LMoVO(OSiMe3)(SPh) are reduced in one-electron steps to stable LMoIVO(py)(SPh). LMoIVO(py)(SR) complexes are also obtained from LMoVIO2(SR) (R?=?Ph, CH2Ph, CHMe2) via a two-electron oxygen atom transfer reaction with tertiary phosphines in pyridine. Consequently, the Mo(IV) product is accessible via a concerted two-electron step or via two one-electron steps.  相似文献   

14.
The base-catalyzed condensation reactions of formaldehyde with the copper(II) chelates of α-alanine and C-phenylglycine result in the formation of bis(4R-oxazolidine-4′-carboxylato)copper(II) where R = methyl and phenyl respectively. The 4-methyl complex, C10H20N2O8Cu, crystallizes in the monoclinic space group P21/n with a = 9.141(2), b = 7.335(3), c = 11.112(3) Å, β = 103.87(2)° and Z = 2. The structure has been refined to R = 0.026 and Rw = 0.031 based on 749 independent reflections collected, 651 used. The geometry about copper is essentially a (4 + 2)-elongated octahedral structure. The 4-phenyl derivative, C20H20N2O6Cu, crystallizes in the monoclinic space group P21/c with a = 11.939(4), b = 8.887(2), c = 8.611(3) Å, β = 95.61(3)° and Z = 2. Refinement of the structure converged to R = 0.062 and Rw = 0.071 based on 1003 reflections collected and 865 used. The structure of the 4-phenyl complex resembles that of the 4-methyl derivative and differs mainly from the latter in being anhydrous.  相似文献   

15.
A series of 3-chloro-4-substituted-1-(8-hydroxy-quinolin-5-yl)-azetidin-2-ones were synthesized and evaluated for their in vitro anti-filarial activity. To pre-assess the anti-filarial behavior of synthesized compounds (Vaf) on a structural basis, automated docking studies were carried out with Molecular Design Suite (MDS v 3.5) into the active site of glutathione-S-transferase (GST) enzyme; scoring functions of these compounds at the active site of the GST enzyme were used for correlation with observed activity. Compounds Ve and Vf have shown good affinity for receptor GST, as well as in vitro anti-filarial potency.  相似文献   

16.
Copper(II)-zinc(II) bimetallic imidazolate metal-organic framework compounds of composition CuaZnbIm2(a + b) (Im = C3H3N2), including Cu2ZnIm6 (1), were prepared in high yields from the metal oxides under mild aqueous conditions using a novel acid catalysis method. Mild acidic hydrothermal treatment of paramagnetic 1 (≥120 °C) gave diamagnetic Cu(I)-containing Cu2ZnIm4 (2) in high yield. The formation mechanism of 2 involves electron transfer from Im to Cu(II), with concomitant formation of the unusual cyclotriimidazole, C9H6N6. Air-stable 2, characterized by single-crystal X-ray diffraction, crystallized in the tetragonal space group , with a = b = 10.9623(3), c = 6.3231(4) Å, α = β = γ = 90°, V = 759.86(6) Å3, and Z = 1.  相似文献   

17.
VEGFR, ERK and Abl had been respectively identified as good drug targets, and their crosstalk also had been well elaborated. Multitarget drugs were more advantageous for cancer treatment, however, no inhibitors simultaneously acting on the three proteins were developed due to their structural diversities. Herein, N-(4-((2-(2-(naphthaen-1-yl)acetamido)ethyl)carbamoyl)piperidin-4-yl)-6-(trifluoromethyl)nicotinamide (NEPT, 6a) was discovered as an active scaffold against VEGFR-2, ERK-2 and Abl-1 kinases through the combination of support vector machine, similarity searching and molecular docking. NEPT and its derivatives were synthesized by convenient routine, their in vitro anti-proliferative abilities against human liver cancer cell line HepG2 were preliminarily evaluated. A representative compound 6b showed an IC50 value of 11.3 μM and induced significant HepG2 cells apoptosis. Besides, these compounds displayed better anti-proliferative abilities against K562 cells (a cell line with typical hyperactivity of the above multikinases), for example compound 6b exhibited an IC50 value of 4.5 μM. Based on hepatotoxicity case reports of Abl inhibitors, cytotoxicity of synthetic compounds against normal liver cell lines (QSG7701 and HL7702) was studied, 6b had a similar toxic effect with positive control imatinib, and most compounds showed less than 35% inhibition activities at 100 μM. Molecular docking study disclosed interactions of 6b with VEGFR-2, ERK-2 and Abl-1 kinases, respectively. Our data suggested the biological activities of 6b may derived from collaborative effects of VEGFR-2, ERK-2 and Abl-1 inhibition.  相似文献   

18.
Reaction of Mo2(O2CCH3)2(DMepyF)2 (HDMepyF=N,N-di(6-methyl-2-pyridyl)formamidine) with HBF4 in CH2Cl2/CH3CN afforded the complex trans-[Mo2(H2DMepyF)2(CH3CN)4](BF4)6 (1), which crystallized in two forms, trans-[Mo2(H2DMepyF)2(CH3CN)4](ax-CH3CN)2(BF 4)6 · 2CH3CN (1a), and trans- [Mo2(H2DMepyF)2(CH3CN)4](ax-BF4) 2(BF4)4 · 2CH3CN (1b). The molecular structures of complexes (1) consist of two quadruply bonded molybdenum atoms, which are spanned by two trans-bridging formamidinate ligands and coordinated by four trans-CH3CN. Each H2DMepyF+ ligand adopts an s-cis,s-cis- conformation. The difference between 1a and 1b is that complex 1a contains two CH3CN molecules as axial ligands, while 1b contains two BF4 anions as axial ligands. Complex 1 is the first dimolybdenum complex containing a pair of trans bridging ligands and two pairs of trans-CH3CN ligands.  相似文献   

19.
A hexarhenium cyanohydroxo anionic cluster complex [Re6Se8(CN)4(OH)2]4− was synthesized for the first time starting from [Re6Se8(OH)6]4−, which was crystallized as a salt of the composition Cs2.75K1.25[Re6Se8(CN)4(OH)2]·H2O (1). The reaction of the complex with Cu2+ in an aqueous ammonia or methylamine solutions afforded [Cu(NH3)5]2[Re6Se8(CN)4(OH)2]·8H2O (2) or [{Cu(CH3NH2)4}2Re6Se8(CN)4(OH)2] (3), respectively. All of these three compounds were characterized by a single-crystal X-ray diffraction method. Compound 1 is crystallized in the tetragonal space group I4/m with eight formula units per cell (a = b = 17.4823(14) Å, c = 19.430(2) Å, V = 5938.3(10) Å3); compound 2 is crystallized in the monoclinic space group P21/n with two formula units per cell (a = 12.1845(13) Å, b = 8.6554(9) Å, c = 19.2568(19) Å, β = 91.081(2)°, V = 2030.5(4) Å3); compound 3 is crystallized in the orthorhombic space group Cmcm with four formula units per cell (a = 19.816(4) Å, b = 14.611(3) Å, c = 13.751(3) Å, V = 3981.2(13) Å3). The luminescence properties of 1 were studied in both aqueous solution and solid state. In addition, the electronic structure of [Re6Se8(CN)4(OH)2]4− was elucidated by DFT calculations.  相似文献   

20.
A new synthesis of cis-dichlorobis(methylamine)platinum(II) is described. It appears that during the crystallization process at least two types of crystals are formed. Form A is monoclinic with space group P2 1/n and unit cell dimensions a = 6.272, b = 15.726, c = 7.419Å, β = 99.86°, V = 721Å 3, Z = 4, R = 0.055. Form B is monoclinic, with space group P2 1/c and unit cell dimensions a = 16.078, b = 6.372, c = 21.459Å, β = 92.7°, V = 2196Å 3, Z = 12, R = 0.057. The two forms can be readily distinguished by IR spectroscopy.  相似文献   

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