Tag: M.W=200-250

Tanaka, Yusuke published the artcileA new entry for the oxidation of fluoroalkyl-substituted methanol derivatives: Scope and limitation of the organoiodine(V) reagent-catalyzed oxidation, Related Products of chlorides-buliding-blocks, the publication is Journal of Fluorine Chemistry (2012), 99-104, database is CAplus.

Oxidation of various fluoroalkyl-substituted methanol derivatives under the influence of a catalytic amount of sodium 2-iodobenzenesulfonate and oxone in CH₃CN or CH₃NO₂ was investigated in detail. The efficiency of the newly developed oxidation was also evaluated by comparison to other oxidations, such as Dess-Martin, PDC, and Swern oxidation

Journal of Fluorine Chemistry published new progress about 5860-95-7. 5860-95-7 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Benzene,Ketone, name is 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, and the molecular formula is C8H6ClN, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zeid, I. F. published the artcileReactions with coumarin. VIII, Formula: C9H5ClO4S, the publication is Afinidad (2003), 60(505), 295-299, database is CAplus.

A series of thiadiazole and selenadiazole derivatives was synthesized via oxidative cyclization of some semicarbazone derivatives of the types I. The later compounds were formed via reaction of coumarin-6-sulfonyl chloride 1 with m-, p-aminoacetophenone and/or o- and p-hydroxyacetophenone to give coumarin-6-sulfonamides II or the esters. Condensation of II and the esters with semicarbazide hydrochloride afforded the semicarbazones of type I. Oxidative cyclization of I with thionyl chloride led to the formation of the thiadiazole derivatives III. On the other hand, oxidative cyclization of I with selenium dioxide led to the formation of the corresponding selenadiazole derivatives

Afinidad published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C3H5BN2O2, Formula: C9H5ClO4S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Li, Jun published the artcileIndium-promoted preparation of α-methylene-γ-trifluoromethyl-γ-lactams via one-pot reaction, Category: chlorides-buliding-blocks, the publication is Youji Huaxue (2017), 37(11), 2985-2992, database is CAplus.

An one-pot reaction of trifluoroacetaldehyde Me hemiacetal or trifluoroketones, acylhydrazines and Et 2-(bromomethyl)acrylate promoted by indium powder was investigated, and a series of α-methylene-γ-trifluoromethyl-γ-lactams were obtained with high yields. The features of this process included readily available starting materials as trifluoromethyl source, mild conditions and easy operation. The reaction provided a new method for the synthesis of trifluoromethylated α-methylene-γ-lactams.

Youji Huaxue published new progress about 5860-95-7. 5860-95-7 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Benzene,Ketone, name is 1-(2-Chlorophenyl)-2,2,2-trifluoroethanone, and the molecular formula is C8H4ClF3O, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Johnson, Joshua L. published the artcileOptimal pH 8.5 to 9 for the hydrolysis of vixotrigine and other basic substrates of carboxylesterase-1 in human liver microsomes, Quality Control of 637-07-0, the publication is Xenobiotica (2022), 52(2), 105-112, database is CAplus and MEDLINE.

Vixotrigine is a voltage- and use-dependent sodium channel blocker under investigation for the potential treatment of neuropathic pain. One of the major in vivo metabolic pathways of vixotrigine in humans is the hydrolysis of the carboxamide to form the carboxylic acid metabolite M14. The in vitro formation of M14 in human hepatocytes was inhibited by the carboxylesterase (CES) inhibitor Bis(4-nitrophenyl) phosphate in a concentration-dependent manner. The hydrolysis reaction was identified to be catalyzed by recombinant human CES1b. Initial observation of only trace level formation of M14 in human liver microsomes at pH 7.4 caused us to doubt the involvement of CES1, an enzyme localised at the endoplasmic reticulum and the dominant carboxylesterase in human liver. Further investigation has revealed that optimal pH for the hydrolysis of vixotrigine and two other basic substrates of CES1, methylphenidate and oseltamivir, in human liver microsomes was pH 8.5-9 which is higher than their resp. pKa(base), suggesting that neutral form of basic substrates is probably preferred for CES1 catalysis in liver microsomes.

Xenobiotica published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Quality Control of 637-07-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Kimura, Tatsuo published the artcileProperties of metal species in square-shape mesopores of KSW-2-based silica, Application In Synthesis of 14799-93-0, the publication is Journal of Materials Chemistry (2009), 19(23), 3859-3866, database is CAplus.

Properties arising from 2-D orthorhombic mesoporous silica (KSW-2) were investigated for each structural feature: (1) periodicity in silicate framework and (2) square-shape mesopore. Titanium species were grafted onto the periodic silica walls of KSW-2-based mesoporous silica through silylation with octylmethyldichlorosilane in the presence of organotitanium compounds with cyclopentadienyl ligands. The surface TiO₄ units formed after calcination at 550 °C showed a higher activity in the oxidation of cyclohexene with peroxides than those onto FSM-16 and MCM-41 grafted in the same manner, indicating that (1) the periodicity in the framework influenced the catalytic activity due to the heteroatoms fixed at the silicate surfaces. The synthesis of metallic Pt species inside square-shape mesopores of KSW-2-based silica was conducted by reduction of impregnated H₂PtCl₆. Considering the morphol. of metallic Pt species formed through wet H₂ and UV reduction, it is considered that (2) the square-shape mesopore is useful for suppressing the sintering of metallic Pt species.

Journal of Materials Chemistry published new progress about 14799-93-0. 14799-93-0 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(methyl)(octyl)silane, and the molecular formula is C9H20Cl2Si, Application In Synthesis of 14799-93-0.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Weijin published the artcileNitromethane-enabled fluorination of styrenes and arenes, Product Details of C12H15ClO3, the publication is CCS Chemistry (2020), 2(6), 566-575, database is CAplus.

Herein, nitromethane (MeNO₂) as an efficient activator of Selectfluor and NFSI, as well as a stabilizer of carbocations was disclosed. Therefore, the fluoro-azidation, fluoroamination, fluoroesterification of styrenes, and C-H fluorination of (hetero)arenes were well realized just by the facilitation of MeNO₂. The mild reaction conditions and practicability made our current method a versatile protocol for accessing organofluorides.

CCS Chemistry published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H10FeO4, Product Details of C12H15ClO3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Guo, Chuangxing published the artcileStructure-based design of novel human Pin1 inhibitors (III): Optimizing affinity beyond the phosphate recognition pocket, Application In Synthesis of 51656-68-9, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(17), 4187-4191, database is CAplus and MEDLINE.

The design of potent Pin1 inhibitors has been challenging because its active site specifically recognizes a phospho-protein epitope. The de novo design of phosphate-based Pin1 inhibitors focusing on the phosphate recognition pocket and the successful replacement of the phosphate group with a carboxylate have been previously reported. The potency of the carboxylate series is now further improved through structure-based optimization of ligand-protein interactions in the proline binding site which exploits the H-bond interactions necessary for Pin1 catalytic function. Further optimization using a focused library approach led to the discovery of low nanomolar non-phosphate small mol. Pin1 inhibitors. Structural modifications designed to improve cell permeability resulted in Pin1 inhibitors with low micromolar anti-proliferative activities against cancer cells.

Bioorganic & Medicinal Chemistry Letters published new progress about 51656-68-9. 51656-68-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene, name is 3-(2,6-Dichlorophenyl)propanoic acid, and the molecular formula is C9H8Cl2O2, Application In Synthesis of 51656-68-9.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cervena, Irena published the artcileNeurotropic and psychotropic agents. CXLIX. Synthesis of arylthioacetamidoximes as potential antidepressants, Formula: C10H11ClO2S, the publication is Collection of Czechoslovak Chemical Communications (1981), 46(5), 1188-98, database is CAplus.

Reactions of PhSH and 16 of its derivatives with ClCH₂CN gave arylthioacetonitriles which were treated with NH₂OH to gave the title compounds I [R¹R² = H, 4-Me, 4-Et, 4-Cl, 2-, 3- and 4-OMe, 4-OEt, 4-SMe, 4-SEt, 2-OMe-4-Cl, 3-OMe-4-Cl, 3,4-(OMe)₂, 2,3-benzo, 3,4-benzo, 2,3-(CH₂)₄, 3,4-(CH₂)₄]. Some of the compounds exhibited antireserpine activity in the tests of ptosis and reserpine hypothermia in mice (LD and ED given).

Collection of Czechoslovak Chemical Communications published new progress about 61551-49-3. 61551-49-3 belongs to chlorides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 5,6,7,8-Tetrahydronaphthalene-2-sulfonyl chloride, and the molecular formula is C10H11ClO2S, Formula: C10H11ClO2S.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Corton, J. Christopher published the artcileA set of six gene expression biomarkers identify rat liver tumorigens in short-term assays, Category: chlorides-buliding-blocks, the publication is Toxicological Sciences (2020), 177(1), 11-26, database is CAplus and MEDLINE.

Chem.-induced liver cancer occurs in rodents through well-characterized adverse outcome pathways. We hypothesized that measurement of the 6 most common mol. initiating events (MIEs) in liver cancer adverse outcome pathways in short-term assays using only gene expression will allow early identification of chems. and their associated doses that are likely to be tumorigenic in the liver in 2-yr bioassays. We tested this hypothesis using transcript data from a rat liver microarray compendium consisting of 2013 comparisons of 146 chems. administered at doses with previously established effects on rat liver tumor induction. Five MIEs were measured using previously characterized gene expression biomarkers composed of gene sets predictive for genotoxicity and activation of 1 or more xenobiotic receptors (aryl hydrocarbon receptor, constitutive activated receptor, estrogen receptor, and peroxisome proliferator-activated receptor α). Because chronic injury can be important in tumorigenesis, we also developed a biomarker for cytotoxicity that had a 96% balanced accuracy. Characterization of the genes in each biomarker set using the unsupervised TXG-MAP network model demonstrated that the genes were associated with distinct functional coexpression modules. Using the Toxicol. Priority Index to rank chems. based on their ability to activate the MIEs showed that chems. administered at tumorigenic doses clearly gave the highest ranked scores. Balanced accuracies using thresholds derived from either TG-GATES or DrugMatrix data sets to predict tumorigenicity in independent sets of chems. were up to 93%. These results show that a MIE-directed approach using only gene expression biomarkers could be used in short-term assays to identify chems. and their doses that cause tumors.

Toxicological Sciences published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Lewis, Robert W. published the artcileA set of six Gene expression biomarkers and their thresholds identify rat liver tumorigens in short-term assays, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Toxicology (2020), 152547, database is CAplus and MEDLINE.

Traditional methods for cancer risk assessment are retrospective, resource-intensive, and not feasible for the vast majority of environmental chems. In earlier studies, we used a set of six biomarkers to accurately identify liver tumorigens in transcript profiles derived from chem.-treated rats using either a Toxicol. Priority Index (ToxPi) approach or using derived biomarker thresholds for cancer. The biomarkers consisting of 7-113 genes are used to predict the most common liver cancer mol. initiating events: genotoxicity, cytotoxicity and activation of the xenobiotic receptors AhR, CAR, ER, and PPARα. In the present study, we apply and evaluate the performance of these methods for cancer prediction in an independent rat liver study of 44 chems. (6 h-7d exposures) examined by Affymetrix arrays. In the first approach, ToxPi ranking of biomarker scores consistently gave the highest scores to tumorigenic chem.-dose pairs; balanced accuracies for identification of liver tumorigenic chems. were up to 89 %. The second approach used tumorigenic thresholds derived in the present study or from our earlier study that were set at the maximum value for chem.-dose exposures without detectable liver tumor outcomes. Using these thresholds, balanced accuracies were up to 90 %. Both approaches identified all tumorigenic chems. Almost all of the tumorigenic chems. activated more than one MIE. We also compared biomarker responses between two types of profiling platforms (Affymetrix full-genome array, TempO-Seq 1500+ array containing ∼2600 genes) and found that the lack of the full set of biomarker genes on the 1500+ array resulted in decreased ability to identify chems. that activate the MIEs. Overall, these results demonstrate that predictive approaches based on the 6 biomarkers could be used in short-term assays to identify chems. and their doses that induce liver tumors, the most common endpoint in rodent bioassays.

Toxicology published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics