- DL5050, a Selective Agonist for the Human Constitutive Androstane Receptor
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The constitutive androstane receptor (CAR) is a xenobiotic sensor governing the transcription of genes involved in drug disposition, energy homeostasis, and cell proliferation. However, currently available human CAR (hCAR) agonists are nonselective, which
- Liang, Dongdong,Li, Linhao,Lynch, Caitlin,Diethelm-Varela, Benjamin,Xia, Menghang,Xue, Fengtian,Wang, Hongbing
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supporting information
p. 1039 - 1044
(2019/07/03)
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- Human constitutive androstane receptor agonist DL5016: A novel sensitizer for cyclophosphamide-based chemotherapies
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The DNA alkylating prodrug cyclophosphamide (CPA), alone or in combination with other agents, is one of the most commonly used anti-cancer agents. As a prodrug, CPA is activated by cytochrome P450 2B6 (CYP2B6), which is transcriptionally regulated by the
- Liang, Dongdong,Li, Linhao,Lynch, Caitlin,Mackowiak, Bryan,Hedrich, William D.,Ai, Yong,Yin, Yue,Heyward, Scott,Xia, Menghang,Wang, Hongbing,Xue, Fengtian
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- Playing with opening and closing of heterocycles: Using the cusmano-ruccia reaction to develop a novel class of oxadiazolothiazinones, active as calcium channel modulators and P-glycoprotein inhibitors
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As a result of the ring-into-ring conversion of nitrosoimidazole derivatives, we obtained a molecular scaffold that, when properly decorated, is able to decrease inotropy by blocking L-type calcium channels. Previously, we used this scaffold to develop a quantitative structure-activity relationship (QSAR) model, and we used the most potent oxadiazolothiazinone as a template for ligand-based virtual screening. Here, we enlarge the diversity of chemical decorations, present the synthesis and in vitro data for 11 new derivatives, and develop a new 3D-QSAR model with recent in silico techniques. We observed a key role played by the oxadiazolone moiety: given the presence of positively charged calcium ions in the transmembrane channel protein, we hypothesize the formation of a ternary complex between the oxadiazolothiazinone, the Ca2+ ion and the protein. We have supported this hypothesis by means of pharmacophore generation and through the docking of the pharmacophore into a homology model of the protein. We also studied with docking experiments the interaction with a homology model of P-glycoprotein, which is inhibited by this series of molecules, and provided further evidence toward the relevance of this scaffold in biological interactions. Copyright:
- Spinelli, Domenico,Budriesi, Roberta,Cosimelli, Barbara,Severi, Elda,Micucci, Matteo,Baroni, Massimo,Fusi, Fabio,Ioan, Pierfranco,Cross, Simon,Frosini, Maria,Saponara, Simona,Matucci, Rosanna,Rosano, Camillo,Viale, Maurizio,Chiarini, Alberto,Carosati, Emanuele
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p. 16543 - 16572
(2015/01/08)
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- Microwave-assisted Hantzsch thiazole synthesis of N-phenyl-4-(6- phenylimidazo[2,1-b]thiazol-5-yl)thiazol-2-amines from the reaction of 2-chloro-1-(6-phenylimidazo[2,1-b]thiazol-5-yl)ethanones and thioureas
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N-Phenyl-4-(6-phenylimidazo[2,1-b]thiazol-5-yl)thiazol-2-amines (6a-q) have been synthesized by the Hantzsch thiazole reaction of 2-chloro-1-(6- phenylimidazo[2,1-b]thiazol-5-yl)ethanones (4a-e) with suitably substituted thioureas using microwave heating.
- Kamila, Sukanta,Mendoza, Kimberly,Biehl, Edward R.
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p. 4921 - 4924,4
(2020/07/30)
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- Hypervalent iodine(iii) sulfonate mediated synthesis of 6-arylimidazo[2,1-b]thiazoles in liquid PEG-400
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PEG-400[poly(ethylene glycol-400)] is used as reaction medium in the one-pot synthesis of 6-arylimidazo[ 2,1-b]thiazoles by reaction with aryl ketones, hypervalent iodine(III) sulfonate and 2-aminothiazole. Significant rate enhancements and improved yield
- Wu, Fang-Wen,Hou, Rei-Sheu,Wang, Huey-Min,Kang, Iou-Jiun,Chen, Ling-Ching
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experimental part
p. 663 - 666
(2012/07/03)
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- IMIDAZOPYRIDINE COMPOUNDS
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The invention relates to compounds of formula (I): and their pharmaceutically acceptable salts and solvates, which are inhibitors of SSAO activity. The invention further relates to pharmaceutical compositions comprising these compounds and to the use of these compounds for the treatment or prevention of medical conditions wherein inhibition of SSAO activity is beneficial, such as inflammatory diseases and immune disorders.
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Page/Page column 81-82
(2010/06/20)
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- Hypervalent iodine in the synthesis of bridgehead heterocycles: A facile route to the synthesis of 6-arylimidazo[2,1-b]thiazoles using [hydroxy(tosyloxy)iodo]benzene
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α-Tosyloxyketones (2), readily accessible through hypervalent iodine oxidation of enolizable ketones (1) using [hydroxy(tosyloxy)iodo]benzene (HTIB) in acetonitrile, exclusively generates the 6-arylimidazo[2,1-b]thiazoles (4) on treatment with commerciall
- Aggarwal, Ranjana,Sumran, Garima
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p. 875 - 879
(2007/10/03)
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