Category: 35852-58-5

Zhu, Xiao-Lei; Zhang, Rui; Wu, Qiong-You; Song, Yong-Jun; Wang, Yu-Xia; Yang, Jing-Fang; Yang, Guang-Fu published the artcile< Natural product neopeltolide as a cytochrome bc1 complex inhibitor: Mechanism of action and structural modification>, Application In Synthesis of 35852-58-5, the main research area is neopeltolide cytochrome bc1 inhibitor mechanism structure modification fungicide discovery; bc1 complex; inhibitor; molecular design; natural product; neopeltolide.

The marine natural product neopeltolide was isolated from a deep-water sponge specimen of the family Neopeltidae. Neopeltolide has been proven to be a new type of inhibitor of the cytochrome bc1 complex in the mitochondrial respiration chain. However, its detailed inhibition mechanism has remained unknown. In addition, neopeltolide is difficult to synthesize because of its very complex chem. structure. In the present work, the binding mode of neopeltolide was determined for the first time by integrating mol. docking, mol. dynamics simulations, and mol. mechanics Poisson-Boltzmann surface area calculations, which showed that neopeltolide is a Qo site inhibitor of the bc1 complex. Then, according to guidance via inhibitor-protein interaction anal., structural modification was carried out with the aim to simplify the chem. structure of neopeltolide, leading to the synthesis of a series of new neopeltolide derivatives with much simpler chem. structures. The calculated binding energies (ΔGcal) of the newly synthesized analogs correlated very well (R2 = 0.90) with their exptl. binding free energies (ΔGexp), which confirmed that the computational protocol was reliable. Compound 45, bearing a di-Ph ether fragment, was successfully designed and synthesized as the most potent candidate (IC50 = 12 nM) against porcine succinate cytochrome c reductase. The mol. modeling results indicate that compound 45 formed a π-π interaction with Phe274 and two hydrogen bonds with Glu271 and His161. The present work provides a new starting point for future fungicide discovery to overcome the resistance that the existing bc1 complex inhibitors are facing.

Journal of Agricultural and Food Chemistry published new progress about Free energy of binding. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Application In Synthesis of 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Vialaton, Delphine; Baglio, Daniela; Paya-Perez, Ana; Richard, Claire published the artcile< Photochemical transformation of acifluorfen under laboratory and natural conditions>, Name: 2-Chloro-4-(trifuloromethyl)phenol, the main research area is acifluorfen photolysis photoproduct decarboxylation.

Acifluorfen was irradiated in pure water at various excitation wavelengths and pH values. Numerous photoproducts were obtained which were identified by [1H]NMR and/or HPLC-MS/MS. The main reaction pathways were photo-decarboxylation, photo-cleavage of the ether bonding with formation of phenolic compounds, photo-dechlorination and photo-Claisen type rearrangement. Decarboxylation was observed in acidic and neutral media whereas cleavage of the ether bonding dominated in basic media. The photo-Claisen type rearrangement only occurred on excitation at short wavelengths. The quantum yield of photolysis was significantly lower at 313nm (6.1 × 10-5) than at 254nm (2.0 × 10-3). The photoreactivity of acifluorfen was then studied in conditions approaching environmental conditions. Acifluorfen was dissolved in pure water, in water containing humic substances or in a natural water, and exposed to solar light in June at Clermont-Ferrand (latitude 46°N). In pure water, the half-life was estimated at 10 days and photo-decarboxylation accounted for 30% of the conversion. The presence of humic substances (10 mg litre-1) did not affect the rate of photo-transformation. However, the half-life of acifluorfen dissolved in the natural water was only 6.8 days.

Pest Management Science published new progress about Decarboxylation (photo). 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Name: 2-Chloro-4-(trifuloromethyl)phenol.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zablotowicz, Robert M.; Locke, Martin A.; Hoagland, Robert E. published the artcile< Aromatic nitroreduction of acifluorfen in soils, rhizospheres, and pure cultures of rhizobacteria>, Synthetic Route of 35852-58-5, the main research area is acifluorfen soil phytoremediation rhizobacteria.

Reduction of nitroarom. compounds to their corresponding amino derivatives is one of several pathways in the degradation of nitroxenobiotics. The nitrodiphenyl ether herbicide acifluorfen showed rapid metabolism to aminoacifluorfen followed by incorporation into unextractable soil components in both soil and rhizosphere suspensions. Aminoacifluorfen was formed more rapidly in rhizospheres compared to soil, which can be attributed to higher microbial populations, especially of Gram-neg. bacteria. Several strains of Pseudomonas fluorescens that possess nitroreductase activity capable of converting acifluorfen to aminoacifluorfen were identified. Factors affecting acifluorfen nitroreductase activity in pure cultures and cell-free extracts, and other catabolic transformations of acifluorfen, ether bond cleavage, are discussed. Plant rhizospheres should be conducive for aromatic nitroredn. Nitroredn. by rhizobacteria is an important catabolic pathway for the initial degradation of various nitroherbicides and other nitroarom. compounds in soils under phytoremediation management.

ACS Symposium Series published new progress about Pseudomonas fluorescens. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Synthetic Route of 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Evans, J. D. H. L.; Cavell, B. D.; Hignett, R. R. published the artcile< Fomesafen - metabolism as a basis for its selectivity in soya>, Computed Properties of 35852-58-5, the main research area is fomesafen metabolism herbicide soybean.

Soya, maize and spiny cocklebur (Xanthium spinosum) plants were treated with 14C-side-chain labeled fomesafen (Ia) by injection and or by root uptake from nutrient solution It was established that the facile metabolism of the compound in soya, but not the other species, was the basis for its herbicidal selectivity. Excised soya leaves were treated with aqueous solutions containing Ia, 14C-nitrophenyl-labeled fomesafen (Ib) and 14C-halophenyl-labeled fomesafen (Ic). The same major radioactive metabolite, M1 was formed following treatments with Ia and Ib but treatment with Ic yielded 2 different metabolites, M2 and M3. Therefore cleavage at the di-Ph ether linkage was proven. Metabolites M2 and M3 hydrolyzed with acid to 2-chloro-4-trifluoromethylphenol. Metabolite M1 was shown by cochromatog. to be S-[3-(N-methanesulfonylcarbamoyl)-4-nitrophenyl]cysteine.

Proceedings – British Crop Protection Conference–Weeds published new progress about Corn. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Computed Properties of 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Koltun, Elena; Richards, Steven; Chan, Vicky; Nachtigall, Jason; Du, Hongwang; Noson, Kevin; Galan, Adam; Aay, Naing; Hanel, Art; Harrison, Amanda; Zhang, Jeff; Won, Kwang-Ai; Tam, Danny; Qian, Fawn; Wang, Tao; Finn, Patricia; Ogilvie, Kathleen; Rosen, Jon; Mohan, Raju; Larson, Christopher; Lamb, Peter; Nuss, John; Kearney, Patrick published the artcile< Discovery of a new class of glucosylceramide synthase inhibitors>, Safety of 2-Chloro-4-(trifuloromethyl)phenol, the main research area is glucosylceramide synthase inhibitor heterocycle preparation SAR.

A novel series of potent inhibitors of glucosylceramide synthase are described. The optimization of biochem. and cellular potency as well as ADME properties led to compound 23c (I). Broad tissue distribution was obtained following oral administration to mice. Thus 23c could be another useful tool compound for studying the effects of GCS inhibition in vitro and in vivo.

Bioorganic & Medicinal Chemistry Letters published new progress about Diabetes mellitus. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Safety of 2-Chloro-4-(trifuloromethyl)phenol.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Lin; Li, Miao; Chi, Huiwei; Yang, Jichun; Li, Zhinian; Liu, Changling published the artcile< Discovery of flufenoxystrobin: Novel fluorine-containing strobilurin fungicide and acaricide>, HPLC of Formula: 35852-58-5, the main research area is flufenoxystrobin fluorine strobilurin preparation fungicide acaricide.

To discover new strobilurin analogs with high activity, a series of new fluorine-containing strobilurin derivatives were synthesized utilizing intermediate derivatization methods (IDM). The compounds were identified by 1H and 19F NMR, IR and elemental anal. Preliminary bioassays in greenhouse indicated that compounds (I) (SYP-3759, flufenoxystrobin) and (II) exhibited excellent fungicidal activities against Erysiphe graminis protecting wheat at 1.56 mg L-1 concentration and compounds 2a showed a moderately high acaricidal activity at 10 mg L-1. Field trials showed the fungicidal activities of compounds I and II is almost equivalent to that of pyraclostrobin, higher than that of triadimefon and the acaricidal activity of compound I is almost equivalent to that of pyidaben, but lower than that of fluacrypyrim. The preliminary mammalian toxicol. results showed compound I was a low-toxicity compound In conclusion compound I is a promising candidate for further development; mammalian toxicol. and ecotoxicol. with compound I are in progress.

Journal of Fluorine Chemistry published new progress about Acaricides. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, HPLC of Formula: 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Hua; Gao, Meng-Qi; Chen, Yan; Wang, Yu-Xia; Zhu, Xiao-Lei; Yang, Guang-Fu published the artcile< Discovery of Pyrazine-Carboxamide-Diphenyl-Ethers as Novel Succinate Dehydrogenase Inhibitors via Fragment Recombination>, Product Details of C7H4ClF3O, the main research area is succinate dehydrogenase inhibitor optimization drug design; diphenyl-ether; fragment; fungicide; molecular docking; succinate dehydrogenase.

The discovery of novel succinate dehydrogenase inhibitors (SDHIs) has attracted great attention worldwide. Herein, a fragment recombination strategy was proposed to design new SDHIs by understanding the ligand-receptor interaction mechanism of SDHIs. Three fragments, pyrazine from pyraziflumid, diphenyl-ether from flubeneteram, and a prolonged amide linker from pydiflumetofen and fluopyram, were identified and recombined to produce a pyrazine-carboxamide-diphenyl-ether scaffold as a new SDHI. After substituent optimization, compound 6y was successfully identified with good inhibitory activity against porcine SDH, which was about 2-fold more potent than pyraziflumid. Furthermore, compound 6y exhibited 95% and 80% inhibitory rates against soybean gray mold and wheat powdery mildew at a dosage of 100 mg/L in vivo assay, resp. The results of the present work showed that the pyrazine-carboxamide-diphenyl-ether scaffold could be used as a new starting point for the discovery of new SDHIs.

Journal of Agricultural and Food Chemistry published new progress about Binding energy. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Product Details of C7H4ClF3O.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhou, Xinming; He, Yantao; Wang, Miao; Ding, Yixiang published the artcile< Syntheses and bioactivity of o- or p-trifluoromethylphenyl phosphates>, Category: chlorides-buliding-blocks, the main research area is fluoromethylphenyl phosphate preparation herbicidal activity.

O- and p-Trifluoromethylphenyl phosphates designed as mechanism-based phosphotyrosine phosphatase inactivator were prepared Some of them show herbicidal activities.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about Herbicides. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Cheng, Hua; Shen, Yan-Qing; Pan, Xia-Yan; Hou, Yi-Ping; Wu, Qiong-You; Yang, Guang-Fu published the artcile< Discovery of 1,2,4-triazole-1,3-disulfonamides as dual inhibitors of mitochondrial complex II and complex III>, Reference of 35852-58-5, the main research area is triazoledisulfonamide preparation inhibitor mitochondria complex II III; antibacterial activity Xanthomonas.

Respiratory chain succinate-ubiquinone oxidoreductase (SQR or complex II) and ubihydroquinone-cytochrome (cyt) c oxidoreductase (cyt bc1 or complex III) have been demonstrated as the promising targets of numerous antibiotics and fungicides. As a continuation of our research work on the development of new fungicides, a series of 1,2,4-triazole-1,3-disulfonamide derivatives with dual functions targeting both SQR and cyt bc1 were designed and synthesized by coupling diverse di-Ph ether moieties with triazolesulfonamide units. These newly synthesized compounds were characterized by elemental analyses, 1H NMR and ESI-MS spectrometry. The in vitro assay indicated that most of the synthesized compounds displayed good inhibition against porcine succinate-cytochrome reductase (SCR) with IC50 values ranging from 3.2 to 81.8 μM, revealing much higher activity than that of the com. control amisulbrom whose IC50 value is 93.0 μM. Further evaluation against the resp. SQR and cyt bc1 indicated that most compounds exhibited SQR-inhibiting activity as well as cyt bc1-inhibiting activity, but the inhibition potency against SQR is much higher than that against cyt bc1, showing that the SCR inhibition might be contributed greatly by the SQR inhibition. The further antibacterial evaluation against Xanthomonas oryzae pv. oryzae revealed that four compounds showed excellent potency at the concentration of 20 μg mL-1. In particular, compounds (I) and (II) exhibited much better antibacterial activity than the com. control bismerthiazol in terms of their EC50. Impressively, II has an EC90 of 33.62 μg mL-1, more than 10-fold higher than that of bismerthiazol.

New Journal of Chemistry published new progress about Antibacterial agents. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Reference of 35852-58-5.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Blazejewski, Jean Claude; Dorme, Regine; Wakselman, Claude published the artcile< Chlorous acid oxidation of trifluoromethylphenols: cyclopentenolones by benzilic acid ring contraction>, Formula: C7H4ClF3O, the main research area is oxidation fluoromethylphenol chlorous acid; chlorohydroxyoxotrifluoromethylcyclopentenecarboxylic acid preparation decarboxylation; cyclopentenecarboxylic acid chloro hydroxy oxo fluoromethyl; cyclopentanedione chloro fluoromethyl.

HClO2 oxidation of 2- and 3-F3CC6H4OH initially gives isolable (trifluoromethyl)cyclopentenecarboxylic acid I, which decarboxylates upon heating to give 2-chloro-2-(trifluoromethyl)-1,3-cyclopentanedione.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about Oxidation. 35852-58-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H4ClF3O, Formula: C7H4ClF3O.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics