cas 96145-98-1, 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol

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In vitro metabolism of the new insecticide flupyrazofos by rat liver microsomes
1. The in vitro metabolism of the new insecticide flupyrazofos was studied using rat liver microsomes. Two metabolites were produced and identified as O,O-diethyl O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl) phosphoric acid ester (flupyrazofos oxon) and 1-phenyl-3-trifluoromethyl-5-hydroxypyrazole (PTMHP) based on UV and mass spectral analysis. 2. Cytochrome P450 oxidatively converted flupyrazofos to flupyrazofos oxon, a major metabolite and phenobarbital-induced microsomes increased this desulphuration by 8-fold. 3. Flupyrazofos oxon was converted to PTMHP with a half-life of 47.8 min by chemical hydrolysis and this conversion also proceeded non-enzymatically under our microsomal incubation conditions.
Lee,Jeong,Kim,Kim,Lee,Kang,Roh
p. 423 - 429
(1997)
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4-Substituted quinoline derivatives and preparation methods and applications thereof
The present invention provides a 4-substituted quinoline derivative and preparation method and application thereof, in particular, the present invention relates to a compound shown in formula (I), a method for preparing a compound shown in formula (I), an
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Paragraph 0166-0172

(2022/01/12)

F(1H-Pyrazol-4-yl)methylene-Hydrazide derivatives: Synthesis and antimicrobial activity
This paper investigates the seismic and collapse performance of shape memory alloy (SMA) braced steel frame structures considering the effects of various brace design parameters and ultimate state of SMAs. An SMA braced steel frame building is designed to
Bhavanarushi, Sangepu,Luo, Zhi-Bin,Bharath, Gandu,Rani, JettiVatsala,Khan, Imran,Xu, Yin,Liu, Bin,Xie, Jimin
p. 751 - 760
(2019/11/22)

New one-pot synthesis of 4-hydroxyimino-5-polyfluoroalkylpyrazol-3-ones, their structure and biological activity
[Figure not available: see fulltext.] We propose different methods for the synthesis of 4-hydroxyimino-5-polyfluoroalkylpyrazol-3-ones. The simplest and most convenient procedure relies on sequential one-pot treatment of polyfluoroalkyl-3-oxoesters with hydrazine and sodium nitrite in acetic acid. It was established that 4-hydroxyimino-5-polyfluoroalkylpyrazol-3-ones exist in solid state and in solutions as mixtures of Z,Е-isomers of the hydroxyimine tautomer. The synthesized compounds were characterized with respect to in vivo analgesic activity and acute toxicity.
Burgart, Yanina V.,Agafonova, Natalya A.,Shchegolkov, Evgeny V.,Maslova, Vera V.,Triandafilova, Galina A.,Solodnikov, Sergey Yu.,Krasnykh, Olga P.,Saloutin, Victor I.
p. 52 - 59
(2019/02/25)

Small Molecule Interactome Mapping by Photoaffinity Labeling Reveals Binding Site Hotspots for the NSAIDs
Many therapeutics elicit cell-type specific polypharmacology that is executed by a network of molecular recognition events between a small molecule and the whole proteome. However, measurement of the structures that underpin the molecular associations bet
Gao, Jinxu,Mfuh, Adelphe,Amako, Yuka,Woo, Christina M.
supporting information
p. 4259 - 4268
(2018/04/05)

DETERMINING SMALL MOLECULE-PROTEIN AND PROTEIN-PROTEIN INTERACTIONS
Provided herein are methods, systems, kits, and compositions useful for determining small molecule-protein interactions and protein-protein interactions. The photo-click tags provided herein can be conjugated to a small molecule or amino acid analog to pr
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Paragraph 0220; 0221; 0222

(2019/01/06)

Structure-activity relationships in a new class of non-substrate-like covalent inhibitors of the bacterial glycosyltransferase LgtC
Lipooligosaccharide (LOS) structures in the outer core of Gram-negative mucosal pathogens such as Neisseria meningitidis and Haemophilus influenzae contain characteristic glycoepitopes that contribute significantly to bacterial virulence. An important example is the digalactoside epitope generated by the retaining α-1,4-galactosyltransferase LgtC. These digalactosides camouflage the pathogen from the host immune system and increase its serum resistance. Small molecular inhibitors of LgtC are therefore sought after as chemical tools to study bacterial virulence, and as potential candidates for anti-virulence drug discovery. We have recently discovered a new class of non-substrate-like inhibitors of LgtC. The new inhibitors act via a covalent mode of action, targeting a non-catalytic cysteine residue in the LgtC active site. Here, we describe, for the first time, structure-activity relationships for this new class of glycosyltransferase inhibitors. We have carried out a detailed analysis of the inhibition kinetics to establish the relative contribution of the non-covalent binding and the covalent inactivation steps for overall inhibitory activity. Selected inhibitors were also evaluated against a serum-resistant strain of Haemophilus influenzae, but did not enhance the killing effect of human serum.
Xu, Yong,Cuccui, Jon,Denman, Carmen,Maharjan, Tripty,Wren, Brendan W.,Wagner, Gerd K.
p. 2973 - 2983
(2018/03/29)

Regiocontrolled N-, O- and C-methylation of 1-phenyl-3-polyfluoroalkyl-1H-pyrazol-5-ols
The approaches for regiocontrolled N-, O- and C-methylation of 1-phenyl-3-polyfluoroalkyl-1H-pyrazol-5-ols have been developed. The chemoselective N-methylation proved to be an efficient method for the synthesis of polyfluorinated antipyrine analogs. In addition, we reinvestigated the structure of 3-polyfluoroalkyl-1-phenylpyrazol-5-ols by the X-Ray analysis. The quantum-chemical calculations were used for an explanation of methylation processes. The preliminary biological testing revealed a significant analgesic activity of trifluoromethyl-containing antipyrine.
Nemytova,Shchegol'kov,Burgart, Ya.V.,Slepukhin,Borisevich,Khursan,Saloutin
p. 72 - 81
(2017/12/26)

Synthesis of Isoxazole, 1, 2, 4-Oxadiazole and (1H-Pyrazol-4-yl)-methanone Oxime Derivatives from N-Hydroxy-1H-pyrazole-4-carbimidoyl Chloride and their Biological Activity
Some novel isoxazole-, 1,2,4 oxadiazole-, and (1H-pyrazol-4-yl)-methanone oxime derivatives were synthesized from N-hydroxy-1H-pyrazole-4-carbimidoyl chloride and the structures of all products were identified by spectral data (1H-NMR, 13
Sangepu, Bhavanarushi,Gandu, Bharath,Anupoju, Gangagnirao,Jetti, Vatsalarani
p. 754 - 761
(2016/05/19)

Synthesis, electrochemical, photophysical, and electroluminescent properties of organic dyes containing pyrazolo[3, 4-b]quinoline chromophore
Abstract Organic dyes containing trifluoromethylated-pyrazolo[3, 4-b]quinoline were synthesized by using condensation reaction between substituted pyrazolo-4-formaldehyde and aryl amines in moderate yields. Quantum calculation, electrochemical, photophysi
Wan, Wen,Wang, Huibin,Lin, Hong,Wang, Jing,Jiang, Yuansong,Jiang, Haizhen,Zhu, Shizheng,Wang, Zixing,Hao, Jian
p. 138 - 146
(2015/06/08)

Synthesis and antibacterial activity of 4,4′-(aryl or alkyl methylene)-bis(1H-pyrazol-5-ol) derivatives
A rapid, improved, and environmentally benign synthesis of 4,4′-aryl or alkyl methylene-bis(1H-pyrazol-5-ols) has been accomplished by tandem Knoevenagel-Michael reaction of 1-aryl-3-alkyl-1H-pyrazol-5-ol with various aldehydes catalyzed by ammonium aceta
Bhavanarushi,Kanakaiah,Bharath, Gandu,Gangagnirao,Vatsala Rani
p. 158 - 167
(2014/03/21)

PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND
The present invention relates to a process for producing a 5-alkoxy-4-hydroxymethylpyrazole compound in a simple manner and with good efficiency. A process for producing a 5-alkoxy-4-hydroxymethylpyrazole compound represented by the general formula (3) which comprises reacting a pyrazole compound represented by the general formula (1) (wherein R1 is a substituent such as alkyl group, substituted or unsubstituted group or the like, and R2 is an electron withdrawing group) with a compound represented by the general formula (2) ????????L-R3?????(2) (wherein L is a leaving group and R3 is a substituent such as substituted or unsubstituted alkyl group or the like) in the presence of a base and formaldehyde.
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Page/Page column 12

(2008/12/08)

PROCESS FOR PRODUCING 5-HYDROXY-4-THIOMETHYLPYRAZOLE COMPOUND
A pyrazole compound represented by general formula (1) is reacted with a sulfur compound represented by general formula (2) in the presence of a base and formaldehyde, to thereby produce a 5-hydroxy-4-thiomethylpyrazole compound represented by general formula (3). The 5-hydroxy-4-thiomethylpyrazole compound may easily be produced in a good yield, by using such a process. Further, this process may easily provide the 5-hydroxy-4-thiomethylpyrazole compound under a mild condition in a single step, without using a special apparatus, an expensive catalyst, or a transition metal, etc. In addition, this process may be conducted substantially without producing a harmful waste which can be derived from a catalyst, etc., and therefore this process is friendly to the environment and industrially valuable.
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Page/Page column 11-12

(2008/06/13)

5-((1H-Pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one inhibitors of ADAMTS-5
A series of 5-((1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one inhibitors of ADAMTS-5 (aggrecanase-2) is described. These compounds show μM functional inhibition of ADAMTS-5, and represent a new class of agents with the potential of inhibiting degradation of aggrecan, a major component of cartilage which is lost in osteoporosis. Compound 12 is noteworthy in that it has an ADAMTS-5 IC50: 1.1 μM and shows >40-fold functional selectivity over ADAMTS-4 (aggrecanase-1).
Gilbert, Adam M.,Bursavich, Matthew G.,Lombardi, Sabrina,Georgiadis, Katy E.,Reifenberg, Erica,Flannery, Carl R.,Morris, Elisabeth A.
p. 1189 - 1192
(2007/10/03)

Herbicide compositions
A herbicidal composition which comprises i) an isoxazoline derivative represented by the following general formula (I) or its salt and ii) at least one compound selected from the Group A: Formula (I) wherein R1, R2, R3, R4, R5 and R6 are defined in the specification.
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Page/Page column 28

(2010/02/14)

ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT
An isoxazoline derivative represented by the following general formula [I]: wherein R1 and R2 may be the same or different and are each an alkyl group; ???R3, R4, R5 and R6 are each a hydrogen atom; ???Y is an optionally substituted 5- to 6-membered aromatic heterocyclic group or fused aromatic heterocyclic group having a hetero atom selected from a nitrogen atom, a oxygen atom and a sulfur atom; and ???n is an integer of 0 to 2. The isoxazoline derivative has an excellent herbicidal effect and an excellent selectivity between crop and weed.
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Page/Page column 192

(2010/02/07)

2-(pyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3 (2H)-One 1, 1-dioxides and compositions and method of use thereof
2-(Pyrazol-5-yl-oxymethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxides, pharmaceutical compositions containing them and methods for the treatment of degenerative diseases utilizing them.
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(2008/06/13)

Aerobic soil metabolism of flupyrazofos
To elucidate the fate of flupyrazofos [O,O-diethyl O-(1-phenyl-3-trifluoromethyl-5-pyrazoyl)phosphorothionate] in soil, an aerobic soil metabolism study was carried out for 60 days with [14C]flupyrazofos applied at a concentration of 0.38 μg g
Kim,Kang,Park,Kim,Kang,Lee,Roh
p. 237 - 243
(2007/10/03)

REACTIONS OF COPPER(II) POLYFLUORINATED β-DIKETONATES AND β-KETOESTERATES WITH HYDRAZINES
It has been shown that pyrazoles (hydroxypyrazoles) are formed upon reaction of fluorine-containing copper β-diketonates (β-ketoesterates) with hydrazines and their hydrochlorides.A preparative method has been developed for the synthesis of fluorinated pyrazoles and hydroxypyrazoles via treatment of fluorine-containing β-diketonate and β-ketoesterate copper compounds with hydrazines.The molecular structure of 1-phenyl-3-octafluorobutyl-5-hydroxypyrazole has been established based on x-ray structural analysis.
Kondrat'ev, P. N.,Skryabina, Z. E.,Saloutin, V. I.,Pashkevich, K. I.,Klyuev, N. A.,Aleksandrov, G. G.
p. 561 - 565
(2007/10/02)