Sudha Ramaiah

Department of Bio-Sciences

School of Bio Sciences and Technology

Vellore Campus

Ramasamy venkat ragavan

Vijayaparthasarathi vijayakumar

Sundaramoorthy sarveswari

Anand anbarasu

Sivashanmugam karthikeyan

Periyasamy giridharan

Nalilu suchetha kumari

Kalavathi murugan kumar

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

Organic and Medicinal Chemistry Letters

A new series of bis-pyrazoles 6a-t were synthesized from 3,5-dimethyl pyrazole using sequential approach. All these compounds were characterized by IR, 1H NMR, 13C NMR and mass spectral data. The interaction of newly synthesized bis-pyrazoles with DNA was investigated through molecular docking and absorption spectroscopic technique. Among all bis-pyrazoles compounds, the 6h compound showed lower conformational energy through in silico analysis. The interaction of each molecule in this series 6a-t with the various concentrations of DNA was examined through the UV–visible spectroscopic studies. The UV–visible spectroscopy studies on the specific binding of compound 6a, 6b, 6g, 6h, 6d, 6i, 6k, 6n, 6s with DNA have exhibited spectral shifts and the results were discussed. In further the compounds 6a-t were subjected to the in-vitro cytotoxicity studies against human pancreatic adenocarcinoma, human non-small cell lung carcinoma cell lines. Among the screened compounds, N-(3-isopropoxy-1-isopropyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-1H-pyrazol-5-yl)cyclobutane carboxamide and N-(5′-Isopropoxy-2′-isopropyl-3,5-dimethyl-2′H-[1,4′] bipyrazolyl-3′-yl)-dimethane sulfonamide were found as lead molecules since they have exhibited promising activity against both the cancer cell lines used in this study, whereas the compounds 4-(trifluoromethyl)-N-(3-isopropoxy-1-isopropyl-4-(3,5-dimethyl-2H-pyrrol-2-yl)-1H-pyrazol-5-yl)benzamide and 2,6-difluoro-N-(3-isopropoxy-1-isopropyl-4-(3,5-dimethyl-2H-pyrrol-2-yl)-1H-pyrazol-5-yl) benzamide were found to be active against the pancreatic cell line only. Rest all the other compounds were found to exhibit moderate to good activity towards both the cell lines. © 2017 Elsevier B.V.

Journal of Photochemistry and Photobiology B: Biology

Synthesis, DNA binding and in-vitro cytotoxicity studies on novel bis-pyrazoles

α-Oxy/thio substituted β-keto esters were synthesized through an efficient cross-Claisen condensation of oxy/thio substituted acetic acid ethyl esters with acid chlorides, which in turn converted in situ into 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones by the addition of hydrazine and its derivatives. This method has been found to be extremely fast, general, and useful toward the synthesis of inaccessible pyrazolones and synthetically demanding 4-oxy/thio substituted pyrazolones. © 2010 HeteroCorporation.

Journal of Heterocyclic Chemistry

A novel route to 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation

The asymmetric unit of the title compound, C11H 12N2O, consists of two crystallographically independent molecules (A and B) with similar geometries. Both molecules exist in a keto form, the C=O bond length being 1.286 (2) Å in A and 1.283 (2) Å in B. The dihedral angles between the pyrazole ring and the attached phenyl ring are 43.28 (12) and 46.88 (11)°, respectively, for A and B. The ethyl unit in molecule B is disordered over two positions with a siteoccupancy ratio of 0.508 (5):0.492 (5). In the crystal, each of the independent molecules forms a centrosymmetric dimer with an R 2 2(8) ring motif through a pair of N -H⋯O hydrogen bonds. These dimers are further connected into a threedimensional network by intermolecular N -H⋯O and C -H⋯O hydrogen bonds. Intermolecular C -H⋯π interactions are also present.

Acta Crystallographica Section E Structure Reports Online

5-Ethyl-4-phenyl-1H-pyrazol-3(2H)-one

The title compound, C 6H 10N 2O, is a zwitterionic pyrazole derivative. The crystal packing is predominantly governed by a three-center iminium-amine N + - H⋯O -⋯H - N inter-action, leading to an undulating sheet-like structure lying parallel to (100).

3-Ethyl-4-methyl-1H-pyrazol-2-ium-5-olate

The asymmetric unit of the title compound, C10H 10N2O, contains two crystallographically independent molecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Åin molecule A and 1.2890 (12) Åin molecule B, indicating that the compound undergoes enol-to-keto tautomerism during the crystallization process. In molecule A, the pyrazole ring is approximately planar [maximum deviation = 0.007 (1) Å] and forms a dihedral angle of 36.67 (6)° with the attached phenyl ring. In molecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°. In the crystal, intermolecular N - H⋯O hydrogen bonds link neighbouring molecules into dimers generating R 22(8) ring motifs. These dimers are linked into ribbons along [101] via intermolecular N - H⋯O hydrogen bonds, forming R 42(10) ring motifs.

4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one

Novel 1,5-diaryl pyrazole derivatives viz. 5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxamides (2a-e, 3, 3a-f), 2-(5-(4-chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-yl)thiazoles (6a-c,7, 8, 9a-c, 10, 11) were synthesized by varying the active part (amide group) of pyrazole, characterized using IR, (1)H NMR, mass spectral data and screened for their antibacterial activity against Escherichia coli (ATTC-25922), Staphylococcus aureus (ATTC-25923), Pseudomonas aeruginosa (ATTC-27853), Klebsiella pneumonia. Similarly all these compounds were screened for their antifungal activity against Aspergillus flavus (NCIM No. 524), Aspergillus fumigates (NCIM No. 902), Penicillium marneffei and Trichophyton mentagrophytes. Interestingly all the synthesized compounds exhibited good antibacterial (except 2a-c, 8, 9a) and antifungal activity (except 2a-c, 6a, 8, 9a).

European Journal of Medicinal Chemistry

Synthesis and antimicrobial activities of novel 1,5-diaryl pyrazoles

β-Keto esters from ketones and ethyl chloroformate: a rapid, general, efficient synthesis of pyrazolones and their antimicrobial, in silico and in vitro cytotoxicity studies

Journal	Data powered by TypesetOrganic and Medicinal Chemistry Letters
Publisher	Data powered by TypesetSpringer Science and Business Media LLC
ISSN	2191-2858
Open Access	Yes