New (S)-verbenone-isoxazoline-1,3,4-thiadiazole hybrids: synthesis, anticancer activity and apoptosis-inducing effect.

This study aimed to develop novel isoxazoline-1,3,4-thiadiazole hybrids from (S)-verbenone for potential anticancer treatment, particularly focusing on cytotoxic and apoptotic effects in hormone-sensitive MCF-7 and triple-negative MDA-MB-231 breast cancer cells. (S)-verbenone was used to synthesize hybrids through 1,3-dipolar cycloaddition, followed by thorough characterization. The compounds were screened across cancer cell lines, showing significant anticancer effects.

Novel Hydrazono-2-Iminothiazolidin-4-Ones Based on a Monoterpenic Skeleton as Potential Antitumor Agents: Synthesis, DFT Studies, in Vitro Cytotoxicity, Apoptosis Inducing Properties and Molecular Docking.

A series of novel 2-iminothiazolidin-4-one analogs have been synthesized from limonaketone, and structurally characterized by HR-MS, H-NMR and C-NMR spectroscopy techniques, and the structure of compound 4 was elucidated by XRD. The newly synthesized products were biologically evaluated in vitro for their cytotoxic activity against human cancer cell lines HT-1080, A549, and MCF-7. Thiazolidinones 9 and 10 were the most active compounds in HT-1080 cell lines (IC =15.

Synthesis, crystal structure and Hirshfeld surface analysis of dimethyl 3-(3-bromo-phen-yl)-6-methyl-7-oxo-3,5,6,7-tetra-hydro-pyrazolo-[1,2-]pyrazole-1,2-di-carboxyl-ate.

The title compound, CHBrNO, resulted from the 1,3-dipolar cyclo-addition reaction between dimethyl acetyl-enedi-carboxyl-ate and (3-bromo-benzyl-idene)-4-methyl-5-oxopyrazolidin-2-ium-1-ide in CHCl. The dihedral angle between the pyrazole rings (all atoms) is 32.91 (10)°; the oxo-pyrazole ring displays an envelope conformation whereas the other pyrazole ring adopts a twisted conformation.

Design, Hemiysnthesis, crystal structure and anticancer activity of 1, 2, 3-triazoles derivatives of totarol.

A new series of diverse triazoles linked to the hydroxyl group of totarol were synthesized using click chemistry approach. The structures of these compounds were elucidated by HRMS, IR and NMR spectroscopy. The structure of compound 3 g was also confirmed by x-ray single crystal diffraction.

Design, synthesis, and evaluation of cytotoxic activities of arylnaphthalene lignans and aza-analogs.

A concise and versatile synthetic strategy for the total synthesis of arylnaphthalene lignans and aza-analogs was developed. The main objective was to develop synthetic tactics for the creation of the lactone and lactam unit that would give access to an array of synthetic, natural, and/or bioactive compounds through rather simple chemical manipulation. The flexibility and potentiality of these new processes were further illustrated by the total synthesis of retrojusticidin B (13b), justicidin C (14b), and methoxy-vitedoamine A (22a).

Crystal structure and Hirshfeld surface analysis of 3,4-di-hydro-2-anthra[1,2-][1,4]dioxepine-8,13-dione.

The title compound, CHO, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthra-quinone ring system (r.m.

Crystal structure and Hirshfeld surface analysis of 4-allyl-2-meth-oxy-6-nitro-phenol.

The asymmetric unit of the title compound, CHNO, which was synthesized nitration reaction of eugenol (4-allyl-2-meth-oxy-phenol) with a mixture of nitric acid and sulfuric acid, consists of three independent mol-ecules of similar geometry. Each mol-ecule displays an intra-molecular hydrogen bond involving the hydroxide and the nitro group forming an (6) motif. The crystal cohesion is ensured by inter-molecular C-H⋯O hydrogen bonds in addition to π-π stacking inter-actions between the aromatic rings [centroid-centroid distances = 3.

Crystal structure, spectroscopic characterization and Hirshfeld surface analysis of -di-aqua-[2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole]di-thio-cyanato-nickel(II).

The reaction of 2,5-bis-(pyridin-4-yl)-1,3,4-oxa-diazole (4-pox) and thio-cyanate ions, used as co-ligand with nickel salt NiCl·6HO, produced the title complex, [Ni(NCS)(CHNO)(HO)]. The Ni atom is located on an inversion centre and is octa-hedrally coordinated by four N atoms from two ligands and two pseudohalide ions, forming the equatorial plane. The axial positions are occupied by two O atoms of coordinated water mol-ecules.

Synthesis, crystal structure and Hirshfeld surface analysis of 2-chloro-3-[()-(2-phenyl-hydrazinyl-idene)meth-yl]quinoline.

A new quinoline-based hydrazone, CHClN, was synthesized by a condensation reaction of 2-chloro-3-formyl-quinoline with phenyl-hydrazine. The quinoline ring system is essentially planar (r.m.

Hemisynthesis, crystal structure and inhibitory effect of sesquiterpenic thiosemicarbazones and thiazolidin-4-ones on the corrosion behaviour of stainless steel in 1 M HSO solution.

Treatment of thiosemicarbazones prepared from sesquiterpenes with ethyl 2-bromoacetate in the presence of sodium acetate afforded the corresponding thiazolidin-4-ones. The structures of all the newly synthesized compounds were established by considering spectral and single-crystal X-ray diffraction data. The title compound, ethyl 2-((Z)-2-{(Z)-[(1aR,5aR,9aS)-1,1-dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-8-ylidene]hydrazono}-4-oxothiazolidin-3-yl)acetate, CHClNOS, 5, crystallizes in the orthorhombic noncentrosymmetric space group P222 with Z = 4.

Crystal structure of (4b,8a)-1-isopropyl-4b,8,8-trimethyl-7-oxo-4b,7,8,8a,9,10-hexa-hydro-phenanthren-2-yl acetate.

The title compound, CHO, was prepared by a direct acetyl-ation reaction of naturally occurring totarolenone. The mol-ecule contains three fused rings, which exhibit different conformations. The central ring has a half-chair conformation, while the non-aromatic oxo-substituted ring has a screw-boat conformation.

Crystal structure of methyl ()-2-[()-3-methyl-2-({()-1-[(*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.

The new title 4-thia-zolidinone derivative, CHNOS, was obtained from the cyclization reaction of 4-methyl-3-thio-semicarbazone and dimethyl acetyl-enedi-carboxyl-ate (DMAD). The cyclo-hexyl-idene ring has an envelope conformation with the stereogenic centre C atom as the flap. Its mean plane makes a dihedral angle of 56.

Crystal structure of 2-meth-oxy-1-nitro-naphthalene.

The asymmetric unit of the title compound, C11H9NO3, contains two mol-ecules, A and B. In mol-ecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.

Crystal stucture of methyl 2-({[2-(meth-oxy-carbon-yl)phen-yl]carbamo-yl}amino)-benzoate.

In the title compound, C17H16N2O5, the dihedral angles between the central urea [N-C(=O)-N] fragment and its attached benzene rings are 20.20 (14) and 24.24 (13)°; the dihedral angle between the aromatic rings is 42.

Crystal structure of ethyl 2-(4-chloro-anilino)acetate.

The title compound, C10H12ClNO2, is close to planar (r.m.s.

3-Methyl-sulfanyl-5-phenyl-1,2,4-triazine.

In the mol-ecule of the title compound, C10H9N3S, the dihedral angle between the triazine and phenyl rings is 11.77 (7)°. In the crystal, mol-ecules are linked by π-π stacking inter-actions [centroid-centroid distances = 3.

Structural features of the modulated BiCu2(P(1-x)V(x))O6 solid solution; 4-D treatment of x = 0.87 compound and magnetic spin-gap to gapless transition in new Cu2+ two-leg ladder systems.

The BiCu(2)(P(1-x)V(x))O(6) system shows the appearance of various phenomena that progressively change as a function of the average (P/V)O(4) groups size. Then, from x = 0 to x approximately 0.7, a solid solution exists with respect to the basic orthorhombic unit cell of BiCu(2)PO(6).