A5064056316- Fluorine in Organic Chemistry
- Computational Drug Discovery Methods
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Chemical Synthesis and Analysis
- Catalytic C–H Functionalization Methods
- Phenothiazines and Benzothiazines Synthesis and Activities
- Synthesis and Reactions of Organic Compounds
- Mass Spectrometry Techniques and Applications
- Synthesis and Catalytic Reactions
- Synthesis and Biological Evaluation
- Analytical Chemistry and Chromatography
- Phosphodiesterase function and regulation
- Inorganic Fluorides and Related Compounds
- Estrogen and related hormone effects
- Cyclopropane Reaction Mechanisms
- Drug Transport and Resistance Mechanisms
- Marine Toxins and Detection Methods
- Molecular Sensors and Ion Detection
- Click Chemistry and Applications
- Oxidative Organic Chemistry Reactions
- Carbohydrate Chemistry and Synthesis
- Hormonal and reproductive studies
- Advanced Chemical Physics Studies
- Receptor Mechanisms and Signaling
Setsunan University
2019-2024
Hokkaido University
2001-2023
Soochow University
2020
Jiangxi Provincial People's Hospital
2020
Institute of Chemical Technology
2020
Universidade Federal do Rio de Janeiro
2020
Slovak University of Technology in Bratislava
2020
University of Minnesota
2020
Kaken Pharmaceutical (Japan)
2004-2018
Sapporo Science Center
2017
We report that the dearomative [4 + 2] cycloaddition between 1,2-dihydro-1,2,4,5-tetrazine-3,6-diones (TETRADs) and benzenes, naphthalenes, or N-heteroaromatic compounds under visible light irradiation affords corresponding isolable cycloadducts. Several synthetic transformations including transition-metal-catalyzed allylic substitution reactions using isolated cycloadducts at room temperature above were demonstrated. Computational studies revealed retro-cycloaddition of benzene–TETRAD...
This paper describes a similarity-driven simple evolutionary approach to producing candidate molecules of new drugs. The aim the method is explore candidates that are structurally similar reference molecule and yet somewhat different in not only peripheral chains but also their scaffolds. employs known active our interest as which used navigate huge chemical space. obtain seed fragments. An initial set individual structures prepared with fragments additional using several connection rules....
Cp*Co<sup>III</sup>-catalyzed directed C–H trifluoromethylthiolation using <italic>N</italic>-trifluoromethylthiodibenzenesulfonimide as an electrophilic SCF<sub>3</sub> source is described.
The (η5 -pentamethylcyclopentadienyl)cobalt(III) (Cp*CoIII )-catalyzed C-H bond functionalization of aromatic, heteroaromatic, and α,β-unsaturated Weinreb amides was explored. allylation reactions with the use allyl carbonate a perfluoroalkene, oxidative alkenylation ethyl acrylate, iodination N-iodosuccinimide, amidation dioxazolones were catalyzed by Cp*Co(CO)I2 in presence cationic Ag salt AgOAc to afford various synthetically useful building blocks. Mechanistic studies disclosed that...
Aiming at the prediction of pleiotropic effects drugs, we have investigated multilabel classification drugs that one or more 100 different kinds activity labels. Structural feature representation each drug molecule was based on topological fragment spectra method, which proposed in our previous work. Support vector machine (SVM) used for and their classes. Multilabel carried out by a set SVM classifiers. The collective classifiers were trained with training 59 180 compounds validated another...
Clinical and experimental studies have shown that trauma combined with hemorrhage shock (T/HS) is associated myocardial contractile dysfunction. However, the initial events triggering cardiac dysfunction are not fully elucidated. Thus we tested hypothesis factors carried in intestinal (mesenteric) lymph contribute to negative inotropic effects rats subjected a laparotomy (T) plus hemorrhagic (HS; mean arterial blood pressure of 30–40 Torr for 90 min) using Langendorff isolated heart...
Dynamic covalent bonds are useful tools in a wide range of applications. Although various reversible chemical reactions have been studied for this purpose, the requirement harsh conditions, such as high temperature and low or pH, to activate generally stable limits their potential applications involving biomolecules household utilization. Here, we report design, synthesis, characterization, dynamic bonding properties 1,2-disubstituted 1,2-dihydro-1,2,4,5-tetrazine-3,6-dione (TETRAD)....
The discovery of a new series potent phosphodiesterase 7 (PDE7) inhibitors is described. Novel thieno[3,2-d]pyrimidin-4(3H)-one hit compounds were identified from our chemical library. Preliminary modifications the performed, resulting in fragment-sized compound (10) with highly improved ligand efficiency. Compound design was guided by structure-activity relationships and computational modeling. 6-substituted derivatives thienopyrimidinone showed diminished activity enzyme selectivity....
We are now investigating and studying a small satellite mission HiZ-GUNDAM for future observation of gamma-ray bursts (GRBs). The concept is to probe "the end dark ages the dawn formation astronomical objects", i.e. physical condition early universe beyond redshift z > 7. will consider two kinds payloads, (1) wide field X-ray imaging detectors GRB discovery, (2) near infrared telescope with 30 cm in diameter select high-z candidates effectively. In this paper, we explain some requirements...
Abstract Tetrahydroquinoline (THQ) was deemed to be a suitable scaffold for our nonsteroidal selective androgen receptor modulator (SARM) concept. We adapted the strategy of switching antagonist function cyano‐group‐containing THQ (CN‐THQ) agonist and optimized CN‐THQ as an orally available drug candidate with pharmacological ADME profiles. Based on binding mode analyses synthetic accessibility, we designed synthesized compound that possesses para ‐substituted aromatic ring attached through...
The BCDE-ring part of ciguatoxin has been convergently synthesized by a sequence reactions involving coupling the E-ring having Z-enal group with B-ring as an acyl anion equivalent, selective removal p-bromobenzyl protective using Miyaura’s conditions, and reductive cyclization.
Recently, many concerns are paid for dual action drugs such as ACE/NEP inhibitors which have two different biological activities. To identify multiple active by supervised learning approach, a multi-label classification technique is required. In the present work, we investigated of antihypertensive including using support vector machines (SVMs). Biological activity data were taken from MDDR database and they employed computational trial training SVM classifiers. Structural feature...
Contributions of the JEM-EUSO Collaboration to 32nd International Cosmic Ray Conference, Beijing, August, 2011.
General.Infrared (IR) spectra were recorded on a JASCO FT/IR4100 spectrophotometer and absorbance bands are reported in wave numbers (cm -1 ). 1 H 13 C NMR JEOL JNM-ECX400P spectrometer, JNM-ECS400 or JNM-ECA500 spectrometer.Chemical shifts the scale relative to TMS (0.00 ppm for NMR), CHCl3 (7.26 CDCl3 (77.0 C6H5D (7.16 C6D6 (128.0 respectively.ESI-MS obtained JMS-T100LC AccuTOF.Silica gel column chromatography was performed with Kanto Silica 60 N (40-50 mesh).1,2-Dichloroethane (Wako Ltd.,...
Abstract We achieved metal‐free pyridine arylations via O ‐triflated N ‐oxides and ‐alkylated indoles. The reactions proceeded through reactive intermediates, obtained upon treatment of with Tf 2 O, which were sufficiently activated for preferentially installing various indoles at the nitrogen‐adjacent positions pyridine. This protocol features mild conditions, short reaction times, ease handling under stirring air room temperature. Furthermore, no transition metal is required, renders our...
Yb(OTf)3 promoted the Krapcho decarboxylation of 2,2-difluoro-3-oxopropanoate, and a subsequent aldol reaction was achieved. This process is first example generating difluoroenolates through decarboxylation-type process, large number carbonyl compounds are applicable to reaction. The protocol complete one-pot that uses bench-stable nonhygroscopic 2,2-difluoro-3-oxopropanoate generate difluoroenolate. strategy has been applied for synthesis CF2-containing bioactive GABAB agonists,...