Synthesis and Characterization of N-((6-methylpyridin-2- yl)carbamothioyl)thiophene-2-carboxamide and its Co(II), Ni(II) and Cu(II) Complexes: Calculation of the Molecular Orbitals and Antioxidant and Antitumor Activities
Anticancer activity of the complex were studied MTT assay in MCF-7 breast cancer cells.
📌 3 Key Takeaways
🎯
Objective & Hypothesis:N-((6-methylpyridin-2-yl)carbamothioyl)thiophene-2-carboxamide, C12H11N3OS2 (HL)and its Co(II), Ni(II) and Cu(II) complexes (ML2 type) have been synthesized and characterized by elemental analysis, FT-IR ,1H-NMR and HR-MS methods.
📊
Key Findings & Data:The HL crystallizes in the monoclinic crystal system with P 1 21/c 1 space group, Z=4, a=7.2326(8) Å, b=18.3492(16) Å, c=9.7724(9) Å.
💡
Conclusion & Impact:Anticancer activity of the complex were studied MTT assay in MCF-7 breast cancer cells.
N-((6-methylpyridin-2-yl)carbamothioyl)thiophene-2-carboxamide, C12H11N3OS2 (HL)and its Co(II), Ni(II) and Cu(II) complexes (ML2 type) have been synthesized and characterized by elemental analysis, FT-IR ,1H-NMR and HR-MS methods. In addition, HL was characterized by single crystal X-ray difraction method. The HL crystallizes in the monoclinic crystal system with P 1 21/c 1 space group, Z=4, a=7.2326(8) Å, b=18.3492(16) Å, c=9.7724(9) Å. The [ML2] complex structures were optimized using B97D/TZVP level. Molecular orbitals of HL ligand was calculated at the same level. Antioxidant activity of the complexes were measured by using the DPPH and ABTS assays. Anticancer activity of the complex were studied MTT assay in MCF-7 breast cancer cells.
Yeşilkaynak, T. (2017). Synthesis and Characterization of N-((6-methylpyridin-2- yl)carbamothioyl)thiophene-2-carboxamide and its Co(II), Ni(II) and Cu(II) Complexes: Calculation of the Molecular Orbitals and Antioxidant and Antitumor Activities. Journal of the Turkish Chemical Society Section A: Chemistry, Cilt: 3 - Sayı: 3, 1–14. https://ajindex.com/articles/781617
Burrows AD, Coleman MD, Mahon MF. Platinum thiosemicarbazide and thiourea complexes: the crystal structure of [PtCl(dppe){SC(NHMe)NHNMe2-S}](PF6) and the influence of intramolecular hydrogen bonding on ligand co-ordination mode. Polyhedron. 1999 Aug;18(20):2665–71. Domı́nguez M, Anticó E, Beyer L, Aguirre A, Garcı́a-Granda S, Salvadó V. Liquid–liquid extraction of palladium(II) and gold(III) with N-benzoyl-N′,N′-diethylthiourea and the synthesis of a palladium benzoylthiourea complex. Polyhedron. 2002 Jun;21(14–15):1429–37.
König K-H, Schuster M, Schneeweis G, Steinbrech B. Zur Chromatographie von Metallchelaten: XIV. Dünnschicht-Chromatographie von N,N-Dialkyl-N?-benzoylthioharnstoff-Chelaten. Fresenius’ Zeitschrift für Analytische Chemie. 1984;319(1):66–9.
König K-H, Schuster M, Steinbrech B, Schneeweis G, Schlodder R. N,N-Dialkyl-N?-benzoylthioharnstoffe als selektive Extraktionsmittel zur Abtrennung und Anreicherung von Platinmetallen. Fresenius’ Zeitschrift für Analytische Chemie. 1985;321(5):457–60.
Ozpozan N, Ozpozan T, Arslan H, Karipçin F, Külcü N. Thermal behaviours of Co(II), Ni(II), Cu(II)), and Pb(II) complexes of N,N-dipropyl-N′-benzoylthiourea. Thermochimica Acta. 1999 Sep;336(1–2):97–103.
Özpozan N, Arslan H, Özpozan T, Özdeş N, Külcü N. Thermal studies of Ni(II), Pd(II), Pt(II) and Ru(III) complexes of N,N-dihexyl-N′-benzoylthiourea. Thermochimica Acta. 2000 Jan;343(1–2):127–33.
Özpozan N, Arslan H, Özpozan T, Merdivan M, Külcü N. Thermal Decomposition Kinetics of Some Metal Complexes of N,N-diethyl-n ’-benzoylthiourea. Journal of Thermal Analysis and Calorimetry. 2000;61(3):955–65.
Madan V, Taneja A, Kudesia V. SYNTHESIS AN SPECTRAL STUDIES OF SOME PYRIMIDYL AND THIAZOLYL SUBSTITUTED THIOUREAS AS POTENTIAL FUNGICIDES AND NEMATICIDES. J Ind Chem Soc. 1991;68(8):471–2.
Arslan H, Flörke U, Külcü N. Synthesis, characterization, and crystal structure of 1-(4-chloro-benzoyl)-3-naphthalen-1-yl-thiourea. J Chem Crystallog. 203AD;33(12):919–24.
Gunasekaran N, Jerome P, Ng SW, Tiekink ERT, Karvembu R. Tris-chelate complexes of cobalt(III) with N-[di(alkyl/aryl)carbamothioyl] benzamide derivatives: Synthesis, crystallography and catalytic activity in TBHP oxidation of alcohols. Journal of Molecular Catalysis A: Chemical. 2012 Feb;353–354:156–62.
Frisch M, Trucks G, Schlegel H, Scuseria G, Robb M, Cheeseman J, et al. Gaussian [Internet]. Gaussian, Inc.; 2009. Available from: http://www.gaussian.com/ Grimme S. Semiempirical GGA-type density functional