@article {47588,
	title = {Metal-free, Tf2NH-catalyzed 1, 6-conjugate addition of imidazopyridine to para-quinone methides: easy access to C3-functionalized triarylmethane imidazopyridine},
	journal = {Tetrahedron},
	volume = {101},
	year = {2021},
	month = {NOV},
	pages = {132510},
	type = {Article},
	abstract = {An inexpensive and commercially available Tf2NH-catalyzed 1,6-conjugate addition of imidazopyridine (IMPY) heterocycles to para-quinone methides (p-QMs) is reported. The present transformation provides a diverse class of C3-functionalized triarylmethanes heterocyclic derivatives of imidazopyridine. These metal-free transformations provided a very broad substrate scope of conjugate addition product with a high yield up to 97\% within a short duration. (C) 2021 Elsevier Ltd. All rights reserved.},
	keywords = {1, 6-Conjugate addition, Bronsted acid, C3-functionalization, Imidazopyridine, para-Quinone methide},
	issn = {0040-4020},
	doi = {10.1016/j.tet.2021.132510},
	author = {Khonde, Nilesh S. and Said, Madhukar S. and Sabane, Jagjivan K. and Gajbhiye, Jayant M. and Kumar, Pradeep}
}
@article {47770,
	title = {Novel 3-fluoro-4-morpholinoaniline derivatives: synthesis and assessment of anti-cancer activity in breast cancer cells},
	journal = {Journal of Molecular Structure},
	volume = {1253},
	year = {2022},
	month = {APR },
	pages = {132127},
	type = {Article},
	abstract = {Heterocyclic morpholine compounds are well-known for their anti-cancer activity. In this study, novel morpholine and its sulfonamide derivatives were designed and synthesized as potential anti-tumor agents. The new compounds were obtained from amine derivatives via nucleophilic addition reactions, providing the desired products in 70 to 90\% yield. The docking analysis was performed for all thirty-one compounds. Out of them, we represent the docking poses for compounds NAM-5 and NAM-7 as representatives. After docking analysis, compounds NAM-5 and NAM- 7 were tested for in vitro antitumor activity against breast cancer cell lines (MCF-7 and MDA-MB-231) and healthy mouse embryonic fibroblast cell line (3T3L-1). Amongst these, sulfonamide group-containing compound NAM-5 showed significant anti-proliferative activity with IC50 of 1.811 mu M and 2.143 mu M for MCF-7 and MDA-MB-231 cells, respectively. On the other hand, NAM-7 showed good anti-proliferative activity against MCF-7 (IC50 1.883 mu M) but slightly lower activity against MDA-MB-231 cells (IC50 4.688 mu M). The activity of both the compound was also tested on 3T3L-1 Cell line which showed activity similar to clinically approved anti-cancer drug doxorubicin (DOX). The cell death analysis by flow-cytometry confirmed apoptosis mediated cell death in 3T3L-1, MCF-7 and MDA-MB-231 cells when treated with the NAM-5 and NAM-7, respectively. The results demonstrated that the synthesized sulfonamide derivatives have significant potential as anti-cancer agents and have a substantial importance in cancer therapeutics with favourable safety profile. Structural analysis of docked poses of sulfonamide derivatives attempts to shed light on the structural basis of sulfonamide derivatives based anti-cancer effect. (C) 2021 Elsevier B.V. All rights reserved.},
	keywords = {Anticancer activity, Apoptosis, Breast cancer, Heterocyclic compounds, Morpholine, Sulfonamide},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2021.132127},
	author = {More, Namita A. and Jadhao, Nitin L. and Meshram, Rohan J. and Tambe, Prajakta and Salve, Rajesh A. and Sabane, Jagjivan K. and Sawant, Sanskruti N. and Gajbhiye, Virendra and Gajbhiye, Jayant M.}
}
@article {48997,
	title = {4-aminoantipyrine linked bis-1,2,3-triazole based probes for Cu(II) sensing},
	journal = {Journal of Molecular Structure },
	volume = {1297},
	year = {2024},
	month = {FEB },
	type = {Article},
	abstract = {<p>
	Herein, two molecular probes of 4-aminoantipyrine-linked bis-1,2,3-triazoles have been studied for metal ion sensing applications. The crystal structure of one of the probes named as 4,4 {\textquoteleft}-((4,4 {\textquoteleft}-(((1,5-dimethyl- 3- oxo- 2- phenyl- 2,3- dihydro- 1H- pyrazol- 4-yl) azanediyl) bis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))dibenzonit rile (3b) crystalizes in Monoclinic crystal system in P 1 21/n 1 space group. Both probes responded more strongly and selectively to Cu(II) than other tested metal ions (K+, Na+, Mg2+, Ba2+, Ca2+, Cr3+, Mn2+, Co2+, Zn2+, Cd2+, Ni2+, Hg2+, and Pb2+). Job{\textquoteright}s plot suggested a 1:1 stoichiometric ratio of ligand and metal ion. Both probes showed an association constant of 2.48 x 10(3) M-1 and 3.73 x 10(3) M-1 through Benesi-Hildebrand (B-H) plot. The geometries of both probes and their complexes were optimized by DFT using B3LYP/6-311 G(d,p) and B3LYP/LanL2DZ basis sets, and properties were supported by Mulliken atomic charge and Molecular electrostatic potential. Molecular docking on both probes and their complexes with Type-II topoisomerases(PDB ID: 4G0V) protein was conducted to foretastes anticancer activity.</p>
},
	keywords = {2, 3-Triazole, 4-aminoantipyrine, and Molecular docking, Bis-1, Cu2+ Sensor, DFT, X-ray crystallography},
	issn = {0022-2860},
	doi = {10.1016/j.molstruc.2023.136995},
	author = {Lal, Bajrang and Kumar, Sachin and Tittal, Ram Kumar and Singh, Gurleen and Singh, Jandeep and Ghule, Vikas D. and Mathpati, Ramling S. and Sabane, Jagjivan K.}
}
@article {50040,
	title = {H5IO6, as an efficient reagent for the aromatization of tetrahydro-β-carbolines: total synthesis of norharman, harmane, harmine, kumujian-C, and orthoscuticellines B},
	journal = {ChemistrySelect},
	volume = {11},
	year = {2026},
	month = {MAR},
	pages = {e04252},
	type = {Article},
	abstract = {<p>
	A new method is reported for the synthesis of beta-carbolines and their derivatives using H5IO6 in DMSO solvent. The method is mild and efficient for oxidative decarboxylation and aromatization of tetrahydro beta-carbolines (TH beta C), resulting in good to excellent yields (70\% to 88\%) of beta-carbolines. This protocol has further been utilized for the synthesis of beta-carbolines based natural products, for examples, norharmane, harmane, harmine, Kumujian-C, and Orthoscuticellines A and B.</p>
},
	keywords = {aromatization, beta-carboline, H5IO6, Harmine, orthoscuticellines, Oxidative},
	issn = {2365-6549},
	doi = {10.1002/slct.202504252},
	author = {Sabane, Jagjivan K. and Gaikwad, Sunil V. and Gajbhiye, Jayant M. and Kumar, Pradeep}
}
