93-68-5Relevant articles and documents
Design, parallel synthesis of Biginelli 1,4-dihydropyrimidines using PTSA as a catalyst, evaluation of anticancer activity and structure activity relationships via 3D QSAR studies
Faizan, Syed,Prashantha Kumar,Lalitha Naishima, Namburu,Ashok,Justin, Antony,Vijay Kumar, Merugumolu,Bistuvalli Chandrashekarappa, Revanasiddappa,Manjunathaiah Raghavendra, Nulgumnalli,Kabadi, Pradeep,Adhikary, Laxmi
, (2021/11/11)
Biginelli 1,4-dihydropyrimidines are extensively screened for their potential anticancer activity in the last decade. In this context, a series of Biginelli 1,4-dihydropyrimidines were designed and synthesised using PTSA as an efficient catalyst. The synthesised 1,4-dihydropyrimidines were screened for their anticancer activity against MCF-7 breast cancer cells by measuring cytotoxicity. The compounds exhibited activity ranging from weak to significant in terms of percentage cytotoxicity which is proportional to the anticancer activity. Amongst the screened compounds, compounds 4, 6 and 8 exhibited potential anticancer activity. Furthermore, CoMSIA studies were performed to derive the structure activity relationships in a 3D grid space by plotting experimental vs predicted cytotoxic activities. We have an opinion that, this developed model helps us in future to develop more potential 1,4-dihydropyrimidines for their cytotoxicity or anticancer activity.
Structure-Activity Relationship Studies of Tetrahydroquinolone Free Fatty Acid Receptor 3 Modulators
Ulven, Elisabeth Rexen,Quon, Tezz,Sergeev, Eugenia,Barki, Natasja,Brvar, Matjaz,Hudson, Brian D.,Dutta, Palash,Hansen, Anders H?jgaard,Bielefeldt, Line O.,Tobin, Andrew B.,McKenzie, Christine J.,Milligan, Graeme,Ulven, Trond
, p. 3577 - 3595 (2020/04/30)
Free fatty acid receptor 3 (FFA3, previously GPR41) is activated by short-chain fatty acids, mediates health effects of the gut microbiota, and is a therapeutic target for metabolic and inflammatory diseases. The shortage of well-characterized tool compounds has however impeded progress. Herein, we report structure-activity relationship of an allosteric modulator series and characterization of physicochemical and pharmacokinetic properties of selected compounds, including previous and new tools. Two representatives, 57 (TUG-1907) and 63 (TUG-2015), showed improved solubility and preserved potency. Of these, 57, with EC50 = 145 nM and a solubility of 33 μM, showed high clearance in vivo but is a preferred tool in vitro. In contrast, 63, with EC50 = 162 nM and a solubility of 9 μM, showed lower clearance and seems better suited for in vivo studies. Using 57, we demonstrate for the first time that FFA3 activation leads to calcium mobilization in murine dorsal root ganglia.
A reduce the adjacent methyl-N-acetyl acetanil method for producing by-product in the
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Paragraph 0021-0024, (2017/05/16)
The invention discloses a method for reducing byproducts in o-methyl-N-acetoacetanilide production. The method comprises the following steps: adding alcohol into a reaction container, stirring, simultaneously adding diketene and o-toluidine in a dropwise manner at 0-30DEG C, carrying out a heat insulation reaction at 10-50DEG C for 1-5h, filtering, and drying to obtain finished o-methyl-N-acetoacetanilide; and adding an acidic catalyst into an alcohol filtrate obtained after filtration, distilling at 80-100DEG C to obtain an alcohol distillation liquid, and reusing the alcohol distillation liquid in a next batch reaction as alcohol, wherein a mass ratio of o-toluidine to the acidic catalyst is 1:0.0001-0.01. The method adopting alcohol as a solvent to optimize the crystal form of the above product prevents caking in the product disposal process, improves the appearance and the performances of the product, improves the yield of the product, and reduces the consumption of o-toluidine and diketene.
