- Novel 4,5-dihydro-1H-pyrazole derivatives as potential succinate dehydrogenase inhibitors: design, synthesis, crystal structure, biological activity and molecular modeling
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Twenty-eight new 4, 5-dihydro-1H-pyrazole derivatives were designed, synthesized and characterized by IR, 1H NMR, 13C NMR and HRMS. The crystal structure of compound 2j was characterized by single crystal X-ray diffraction. Their ant
- Cheng, Wei,Jiang, Wenjing,Liu, Hui,Lu, Tong,Tang, Xiaorong,Wang, Jingwen,Xiao, Tingting,Zhang, Guilan,Zhang, Tingting
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- Design, synthesis, and antifungal activity evaluation of novel 2-cyano-5-oxopentanoic acid derivatives as potential succinate dehydrogenase inhibitors
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Two series of novel 2-cyano-5-oxopentanoic acid derivatives (1a?l, 2a?l) were designed, synthesized, and characterized by IR, 1H NMR, 13C NMR, and HRMS. Their in vitro antifungal activity against five plant pathogenic fungi were then
- Mai, Yong-zhan,Peng, Mi-jun,Tang, Xiao-rong,Wang, Xue-song
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- Pyrazoline analogs as potential anticancer agents and their apoptosis, molecular docking, MD simulation, DNA binding and antioxidant studies
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N-formyl pyrazoline derivatives (3a–3l) were designed and synthesized via Michael addition reaction through cyclization of chalcones with hydrazine hydrate in presence of formic acid. The structural elucidation of N-formyl pyrazoline derivatives was carri
- Rana, Manish,Arif, Rizwan,Khan, Faez Iqbal,Maurya, Vikas,Singh, Raja,Faizan, Md Imam,Yasmeen, Shama,Dar, Sajad Hussain,Alam, Raquib,Sahu, Ankita,Ahmad, Tanveer,Rahisuddin
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- Design, synthesis and insecticidal activity of novel semicarbazones and thiosemicarbazones derived from chalcone
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Thirty semicarbazone and thiosemicarbazone derivatives (2a–w and 4a–g) from chalcones containing furan and thiophene ring were designed and synthesized. They were characterized by IR, 1H NMR, 13C NMR and HRMS. The crystal structure o
- Cheng, Wei,Xiao, Tingting,Qian, Weifeng,Lu, Tong,Zhang, Tingting,Tang, Xiaorong
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p. 3801 - 3809
(2020/03/23)
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- Design, synthesis, biological evaluation of 3,5-diaryl-4,5-dihydro-1H-pyrazole carbaldehydes as non-purine xanthine oxidase inhibitors: Tracing the anticancer mechanism via xanthine oxidase inhibition
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Xanthine oxidase (XO) has been primarily targeted for the development of anti-hyperuriciemic /anti-gout agents as it catalyzes the conversion of xanthine and hypoxanthine into uric acid. XO overexpression in various cancer is very well correlated due to r
- Joshi, Gaurav,Sharma, Manisha,Kalra, Sourav,Gavande, Navnath S.,Singh, Sandeep,Kumar, Raj
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- Pyrazoline derivatives as tubulin polymerization inhibitors with one hit for Vascular Endothelial Growth Factor Receptor 2 inhibition
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In this work, to check the effect of the transposition of the rings in typical patterns, a series of pyrazoline derivatives 3a-3t bearing the characteristic 3,4,5-trimethoxy phenyl and thiophene moieties were synthesized and evaluated as tubulin polymeriz
- Yang, Bing,Zhou, Jiahua,Wang, Fa,Hu, Xiao-Wei,Shi, Yujun
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- 6-methoxypyridine derivative and application thereof in pesticide
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The invention relates to a 6-methoxypyridine derivative and application thereof in pesticides, which belong to the technical field of pesticides. The structural formula of the 6-methoxyl pyridine derivative is shown as a formula (I), and in the formula (I
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Paragraph 0072-0074
(2021/06/22)
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- Transition metal-free domino aryl-aryl coupling/phospha-Michael addition of diarylphosphinite to α,β-unsaturated ketones triggered by alkaline hydrolysis of (4-(2-alkenoyl)phenyl)triarylphosphonium salts
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Alkaline hydrolysis of a variety of (4-(2-alkenoyl)phenyl)triarylphosphonium bromides is reported. This hydrolysis triggers coupling of 4-(2-alkenoyl)phenyl with one aryl via phosphorus(V). Both diarylphosphinite and an α,β-unsaturated ketone are in situ generated and then undergo phospha-Michael addition to provide β-diarylphosphoryl ketones bearing a biaryl moiety in 27–70% yields in the absence of a transition metal.
- Huang, Wenhua,Xue, Jing-Yu
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- Donor-acceptor architectures of tetraphenylethene linked aza-BODIPYs: Synthesis, crystal structure, energy transfer and computational studies
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This work is focused on the design and synthesis of donor-acceptor pairs comprising of aza-BODIPY and tetraphenylethene (TPE) fluorogens with large pseudo Stokes shifts (386–424 nm). Femtosecond transient absorption spectroscopy, single crystal X-ray technique and TD-DFT studies were used to get more insight about their spectral behavior. As compared to the tetra-phenylaza-BODIPY, the four aza-BODIPYs exhibited 50–90 nm red shifted absoprtion and emission spectra. When the donor-acceptor architectures were excited at 300 nm, the aza-BODIPY unit emitted strong fluorescence in red region. This suggested an intramolecular energy transfer between donor (TPE) and the aza-BODIPY acceptor; with 81–90% energy transfer efficiencies. Femtosecond transient absorption studies also supported energy transfer process in the molecules, with 3.7 ps time constant associated with it. Aggregation studies in THF/n-heptane solution showed hypsochromic shifts in the aggregated form; X-ray packing structures indicated H-type aggregates (slip angle > 54.7°) in the solid state. Scanning electron microscopy (SEM) measurement revealed 200–700 nm size sphere shaped structures in the aggregated forms.
- Balsukuri, Naresh,Das, Aritra,Gupta, Iti,Lone, Mohsin Y.,Manav, Neha,Mori, Shigeki,Sen, Pratik
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- 4, 5-dihydropyrazole compound and application thereof in pesticides
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The invention relates to a 4, 5-dihydropyrazole compound and an application thereof in pesticides, which belong to the technical field of pesticides. The technical problem to be solved by the invention is to provide a new compound which can be used as an
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Paragraph 0065-0067
(2020/05/14)
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- Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study
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A set of chalcone compounds were prepared by reacting p-bromoacetophenone with various substituted aromatic aldehyde in ethanol using sodium ethoxide as base. The synthesized molecules were well characterized using spectroscopic techniques like UV–Vis, fo
- Arshad, Muhammad Nadeem,Al-Dies, Al-Anood M.,Asiri, Abdullah M.,Khalid, Muhammad,Birinji, Abdulhadi Salih,Al-Amry, Khalid A.,Braga, Ataualpa A.C.
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p. 142 - 156
(2017/04/03)
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- Thiophene containing pyrazoline (or furyl) thiazole derivatives of the structure and its preparation and use
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The invention relates to thiazole derivatives comprising pyrazoline and thiophene (or furan) structures, and a preparation method and an application thereof. The derivatives are characterized in that the derivatives have a general formula presented as the following, wherein R1 is as the following, R2 is H or -OCH3, and X is S or O. Specifically, when R1 is as the following, R2 is -OCH3, and X is O. The thiazole derivatives can be adopted as potential antimicrobial and antitumor medicines. The invention also discloses a preparation method thereof.
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Paragraph 0029-0031
(2017/02/09)
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- Synthesis of covalently bonded boron-dipyrromethene-diarylethene for building a stable photosensitizer with photo-controlled reversibility
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We report the synthesis and characterization of a photosensitizer containing boron-dipyrromethene and diarylethene. The photosensitizer has photo-controlled reversible photosensitivity and offers potential applications in photochemical catalysis and the d
- Hu, Qiao-Ju,Lu, Yu-Chen,Yang, Cheng-Xiong,Yan, Xiu-Ping
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supporting information
p. 5470 - 5473
(2016/05/09)
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- Synthesis and carbonic anhydrase inhibitory activities of new thienyl-substituted pyrazoline benzenesulfonamides
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A series of new thienyl-substituted pyrazoline benzenesulfonamides were synthesized and their carbonic anhydrase (CA, EC 4.2.1.1) inhibitory activities were tested on the human (h) isoforms hCA I and hCA II. The inhibition constant (Ki) of thes
- Mete, Ebru,Comez, Birnur,Inci Gul, Halise,Gulcin, Ilhami,Supuran, Claudiu T.
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- Triethylamin-mediated addition of 2-aminoethanethiol hydrochloride to chalcones: Synthesis of 3-(2-aminoethylthio)-1-(aryl)-3-(thiophen-2-yl) propan-1-ones and 5,7-diaryl-2,3,6, 7-tetrahydro-1,4-thiazepines
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The triethylamin-mediated addition of 2-aminoethanethiol hydrochloride to chalcone analogs was investigated. This addition, bearing a 2-thienyl group at the 3-position, gave the only addition adduct at room temperature in 3 h, whereas the chalcones bearing the 2-furyl group at the 1-position gave an addition-cyclization product (1, 4-thiazepine) in the same conditions. The effect of the groups to the reaction was investigated by changing the 1- and 3-position groups. The chalcones bearing the 2-thienyl group at the 1-position and the others afforded the mixture of products in different ratio at rt for 0.5-24 h. Moreover, the addition-cyclization products (1,4-thiazepine) were obtained under reflux conditions in 36 h. The structures of the synthesized compounds were elucidated by 1H NMR, 13C NMR, infrared, and elemental analysis.
- Gürdere, Meliha Burcu,Eme?, Ali Cemal,Aslan, Osman Nuri,Budak, Yakup,Ceylan, Mustafa
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p. 536 - 545
(2016/05/02)
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- Novel benzothiazole based sulfonylureas/sulfonylthioureas: Design, synthesis and evaluation of their antidiabetic potential
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In the present study, twenty-eight benzothiazole based sulfonylureas/sulfonylthioureas were synthesized and were assessed for their antidiabetic effect in a normoglycemic rat model by the in vivo oral glucose tolerance test (OGTT). All the synthesized com
- Kharbanda, Chetna,Alam, Mohammad Sarwar,Hamid, Hinna,Javed, Kalim,Bano, Sameena,Ali, Yakub,Dhulap, Abhijeet,Alam, Parwez,Pasha
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p. 6777 - 6786
(2016/08/10)
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- Thiosemicarbazone derivatives, preparation method and applications thereof
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The invention provides thiosemicarbazone derivatives, a preparation method and applications thereof. The structural formula of the derivatives is represented in the description. In the formula (I), the R1 represents a fluorine atom, a chlorine atom, a bro
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Paragraph 0034; 0035
(2016/12/22)
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- Pyrazoline-containing (or furyl) thiophene thiazoline ketone derivatives of the structure and its preparation and use
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The invention relates to thiazolinone derivatives comprising pyrazoline and thiophene (or furan) structures, and a preparation method and an application thereof. The derivatives are characterized in that the derivatives have a general formula presented as
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Paragraph 0026; 0028
(2017/02/23)
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- A class of wavelength-tunable near-infrared aza-BODIPY dyes and their application for sensing mercury ion
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We present the design, synthesis, photophysical properties and application for sensing mercury ion, of a series of excellent near infrared fluorescent aza-boron-dipyrromethene (aza-BODIPY) dyes. The introduction of different aromatic substituents to the a
- Liu, Shujuan,Shi, Zhengjian,Xu, Wenjuan,Yang, Huiran,Xi, Na,Liu, Xiangmei,Zhao, Qiang,Huang, Wei
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p. 145 - 153
(2014/01/17)
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- Critical assessment of two classical synthetic methods for preparation of thiophene-substituted isoxazoles
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Formation of thiophene-substituted isoxazoles by reaction of chalcone dibromides and 1,3-diketones with hydroxylamine hydrochloride has been examined under different conditions. Use of KOH as base in the reaction of dibromide chalcone analogs with hydroxy
- Roman, Gheorghe
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p. 2039 - 2057
(2014/05/06)
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- Synthesis and studies of aza-BODIPY-based π-conjugates for organic electronic applications
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Aza-boron-dipyromethene (aza-BODIPY) derivatives 1-6 were synthesized for the first time by employing the palladium catalyzed Suzuki-Miyaura coupling on dibromo-aza-BODIPY. Photophysical and electrochemical properties of these compounds were studied in solution. Absorption and emission maxima were observed in the near-infrared (NIR) region and were found to extend up to 754 and 751 nm, respectively. NIR fluorescence quantum yields in chloroform were as high as 0.45. Optical band gaps were measured from the onset of absorption spectra in thin films and were found to be low (ca. 1.2-1.4 eV). Electrochemical studies provided insight into the reduction potentials of these compounds and consequently the electron affinity (EA). High electron affinity (ca. 4.5) was observed for these dyes. NIR absorption and emission, good quantum yield, and high electron affinity of these compounds promise their applications in microscope imaging and optoelectronic devices, mainly in solar cells and field-effect transistors. Suzuki-Miyaura coupling was employed for the first time on aza-BODIPY dyes. Near-infrared absorbing and emitting dyes were synthesized and characterized. High fluorescence quantum yield and high electron affinity were observed for these compounds. Copyright
- Khan, Tamanna K.,Sheokand, Preeti,Agarwal, Neeraj
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p. 1416 - 1422
(2014/03/21)
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- Synthesis and Studies of Aza-BODIPY-Based π-Conjugates for Organic Electronic Applications
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Aza-boron-dipyromethene (aza-BODIPY) derivatives 1-6 were synthesized for the first time by employing the palladium catalyzed Suzuki-Miyaura coupling on dibromo-aza-BODIPY. Photophysical and electrochemical properties of these compounds were studied in solution. Absorption and emission maxima were observed in the near-infrared (NIR) region and were found to extend up to 754 and 751 nm, respectively. NIR fluorescence quantum yields in chloroform were as high as 0.45. Optical band gaps were measured from the onset of absorption spectra in thin films and were found to be low (ca. 1.2-1.4 eV). Electrochemical studies provided insight into the reduction potentials of these compounds and consequently the electron affinity (EA). High electron affinity (ca. 4.5) was observed for these dyes. NIR absorption and emission, good quantum yield, and high electron affinity of these compounds promise their applications in microscope imaging and optoelectronic devices, mainly in solar cells and field-effect transistors.
- Khan, Tamanna K.,Sheokand, Preeti,Agarwal, Neeraj
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p. 1416 - 1422
(2015/10/05)
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- Synthesis and evaluation of pyrazolines bearing benzothiazole as anti-inflammatory agents
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The present study aims at the synthesis of pyrazolines bearing benzothiazole and their evaluation as anti-inflammatory agents. The synthesized compounds were evaluated for their anti-inflammatory potential using carrageenan induced paw edema model. Two co
- Kharbanda, Chetna,Alam, Mohammad Sarwar,Hamid, Hinna,Javed, Kalim,Bano, Sameena,Dhulap, Abhijeet,Ali, Yakub,Nazreen, Syed,Haider, Saqlain
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p. 5804 - 5812
(2015/02/02)
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- 1-Acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles: Exhibiting anticancer activity through intracellular ROS scavenging and the mitochondria-dependent death pathway
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A series of 17 analogs of 1-acetyl-4,5-dihydro(1H)pyrazoles (JP-1 to JP-17) bearing two aromatic rings at positions 3 and 5, either of which ought to be heterocyclic, were synthesized and evaluated for their anti-proliferative potential against breast cancer (MCF-7 and T-47D) and lung cancer (H-460 and A-549) cell lines for the first time. JP-1-7, -10, -11, -14, and -15 were observed to exhibit significant anti-proliferative activity against MCF-7 cells. Some notions about structure-activity relationships are reported. The investigated compounds were found to lower the intracellular reactive oxygen species in the H2DCFDA assay and also caused mitochondria-dependent cell death in the MCF-7 cell line, indicating a plausible mechanism of their anticancer effect. Analogs of 1-acetyl-4,5-dihydro(1H)pyrazoles (JP-1-17) were synthesized and evaluated for their anti-proliferative activity in four cancer cell lines and for their intracellular ROS scavenging properties. An attempt was made to determine the mitochondrial membrane potential of MCF-7 cells treated with JP-1 and -14, aiming to elucidate the mechanism by which proliferation was curbed.
- Alex, Jimi M.,Singh, Sandeep,Kumar, Raj
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p. 717 - 727
(2016/02/18)
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- Synthesis and biological evaluation of novel 1,3,5-trisubstituted pyrazolines
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A new series of chalcones (1a-j) was prepared by reacting 2-thiophene carbaldehyde and substituted ketones in alcohol medium in presence of NaOH. The chalcones undergoes selective cyclization with 4-hydroxybenzohydrazide (2) in gl acetic acid medium to yield the title compounds 1,3,5-trisubstituted pyrazolines (3a-j). All the newly synthesized compounds were evaluated for their in-vitro antibacterial and antifungal activities. The structures of the new compounds were assigned on the basis of elemental analysis, 1H NMR, IR and Mass spectral data.
- Revanasiddappa,Jisha,Varghese, Saira Susan,Kalsi, Jasmine,Jose, Neethu
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- Design, synthesis and molecular docking study of some substituted 4,5-dihydro-2H-indazole derivatives as potential anti-inflammatory agents
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A new series of 4,5-dihydro-2H-indazoles was synthesized and evaluated for anti-inflammatory activity using formalin-induced paw edema and turpentine oil-induced granuloma pouch bioassays. In addition, the inhibitory activity of cyclooxygenase, ulcerogenic effect, and acute toxicity (ALD50) values were also determined. Compounds 10, 13, 15, 16, 18 and 22 were proved to display distinctive anti-inflammatory profiles with a fast onset of action. They revealed super GI safety profile and are well tolerated by the experimental animals with high safety margin (ALD50 > 300 mg/Kg). The same active compounds exhibited moderate to powerful selectivity profile towards the inhibition of COX-2 enzyme. Docking poses for the most active compounds separately in the active site of human COX-2 enzyme were also obtained.
- Badr, Mona H.,Elbayaa, Rasha Y.,El-Ashmawy, Ibrahim M.
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p. 718 - 730
(2013/09/23)
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- Thiophene-substituted aza-bodipy as a strategic synthon for the design of near-infrared dyes
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Original aza-bodipy dyes functionalised by thiophene moieties in 3,5 or 1,7 positions were prepared and characterised by X-ray crystallography. The 3,5 substituted compound 3 exhibits promising photophysical properties red-shifted in the NIR spectral rang
- Bellier, Quentin,Dalier, Fabrice,Jeanneau, Erwann,Maury, Olivier,Andraud, Chantal
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experimental part
p. 768 - 773
(2012/05/04)
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- Design, synthesis, and biological evaluation of chalcone oxime derivatives as potential immunosuppressive agents
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A series of deoxybenzoin oximes were recently reported as potent immunosuppressive agents by our group. In order to continue the original research for potential immunosuppressive agents with high efficacy and low toxicity, we synthesized a series of new c
- Luo, Yin,Song, Ran,Li, Yao,Zhang, Shuai,Liu, Zhi-Jun,Fu, Jie,Zhu, Hai-Liang
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supporting information; experimental part
p. 3039 - 3043
(2012/06/04)
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