Category: 350-30-1

Suryadevara, Praveen Kumar published the artcileDialkylimidazole inhibitors of Trypanosoma cruzi sterol 14α-demethylase as anti-Chagas disease agents, Computed Properties of 350-30-1, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(23), 6492-6499, database is CAplus and MEDLINE.

New dialkylimidazole based sterol 14α-demethylase inhibitors were prepared and tested as potential anti-Trypanosoma cruzi agents. Previous studies had identified compound I as the most potent and selective inhibitor against parasite cultures. In addition, animal studies had demonstrated that compound I is highly efficacious in the acute model of the disease. However, compound I has a high mol. weight and high hydrophobicity, issues addressed here. Systematic modifications were carried out at four positions on the scaffold and several inhibitors were identified which are highly potent (EC₅₀ <1 nM) against T. cruzi in culture. The halogenated derivatives II (where R² = Cl, R³ = Me or H; R² = F, R³ = H) display excellent activity against T. cruzi amastigotes, with reduced mol. weight and lipophilicity, and exhibit suitable physicochem. properties for an oral drug candidate.

Bioorganic & Medicinal Chemistry Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C3H6F3N, Computed Properties of 350-30-1.

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

Ahn, Ki Chang published the artcileDetection of the Antimicrobial Triclosan in Environmental Samples by Immunoassay, Category: chlorides-buliding-blocks, the publication is Environmental Science & Technology (2016), 50(7), 3754-3761, database is CAplus and MEDLINE.

A sensitive, competitive ELISA for the detection of the antimicrobial triclosan (TCS) was developed. Novel immunizing haptens were synthesized by derivatizing at the 4-Cl position of the TCS mol. Compounds derived from substitutions at 4′-Cl and that replaced the 2′-OH with a Cl atom were designed as unique coating antigen haptens. Polyclonal rabbit antisera were screened against the coating antigen library to identify combinations of immunoreagents resulting in the most sensitive assays. The most sensitive assay identified was one utilizing antiserum number 1155 and a heterologous competitive hapten, where the 2′-OH group was substituted with a Cl atom. An IC₅₀ value and the detection range for TCS in assay buffer were 1.19 and 0.21-6.71 μg/L, resp. The assay was selective for TCS, providing low cross-reactivity (<5%) to the major metabolites of TCS and to brominated di-Ph ether-47. A 2nd assay using a competitive hapten containing Br instead of Cl substitutions was broadly selective for both brominated and chlorinated diphenylethers. Using the most sensitive assay combination, we measured TCS concentrations in water following dilution Biosolid samples were analyzed following the dilution of a simple solvent extract The immunoassay results were similar to those determined by LC-MS/MS. This immunoassay can be used as a rapid and convenient tool to screen for human and environmental exposure.

Environmental Science & Technology published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Category: chlorides-buliding-blocks.

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

Chen, Jun published the artcileDiscovery of 1-(4-((3-(4-methylpiperazin-1-yl)propyl)amino)benzyl)-5-(trifluoromethyl)pyridin-2(1H)-one, an orally active multi-target agent for the treatment of diabetic nephropathy, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(2), 222-229, database is CAplus and MEDLINE.

Oxidative stress, inflammation and fibrosis can cause irreversible damage on cell structure and function of kidney and are key pathol. factors in Diabetic Nephropathy (DN). Therefore, multi-target agents are urgently need for the clin. treatment of DN. Using Pirfenidone as a lead compound and based on the previous research, two novel series (5-trifluoromethyl)-2(1H)-pyridone analogs were designed and synthesized. SAR of (5-trifluoromethyl)-2(1H)-pyridone derivatives containing nitrogen heterocyclic ring have been established for in vitro potency. In addition, compound I, a novel agent that act on multiple targets of anti-DN with IC₅₀ of 90 μM in NIH3T3 cell lines, t_1/2 of 4.89 ± 1.33 h in male rats and LD₅₀ > 2000 mg/kg in mice, has been advanced to preclin. studies as an oral treatment for DN.

Bioorganic & Medicinal Chemistry Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Safety of 3-Chloro-4-fluoronitrobenzene.

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

Yu, Weixuan published the artcileA [³²P]NAD⁺-based method to identify and quantitate long residence time enoyl-acyl carrier protein reductase inhibitors, Product Details of C6H3ClFNO2, the publication is Analytical Biochemistry (2015), 40-49, database is CAplus and MEDLINE.

The classical methods for quantifying drug-target residence time (t_R) use loss or regain of enzyme activity in progress curve kinetic assays. However, such methods become imprecise at very long residence times, mitigating the use of alternative strategies. Using the NAD(P)H-dependent FabI enoyl-acyl carrier protein (enoyl-ACP) reductase as a model system, we developed a Penefsky column-based method for direct measurement of t_R, where the off-rate of the drug was determined with radiolabeled [adenylate-³²P]NAD(P⁺) cofactor. In total, 23 FabI inhibitors were analyzed, and a math. model was used to estimate limits to the t_R values of each inhibitor based on percentage drug-target complex recovery following gel filtration. In general, this method showed good agreement with the classical steady-state kinetic methods for compounds with t_R values of 10 to 100 min. In addition, we were able to identify seven long t_R inhibitors (100-1500 min) and to accurately determine their t_R values. The method was then used to measure t_R as a function of temperature, an anal. not previously possible using the standard kinetic approach due to decreased NAD(P)H stability at elevated temperatures In general, a 4-fold difference in t_R was observed when the temperature was increased from 25 to 37 °C.

Analytical Biochemistry published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C16H24BF4Ir, Product Details of C6H3ClFNO2.

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

Kikuchi, Mikio published the artcilePredicting changes in aquatic toxicity of chemicals resulting from solvent or dispersant use as vehicle, Application of 3-Chloro-4-fluoronitrobenzene, the publication is Chemosphere (2016), 34-39, database is CAplus and MEDLINE.

The influence of two vehicles (N,N-dimethylformamide [DMF] as solvent and polyoxyethylene hydrogenated castor oil [HCO-40] as a dispersant) on the acute toxicity of eight hydrophobic chems. with a non-specific mode of action to Daphnia magna was investigated according to the OECD Guidelines for the Testing of Chems., Number 202. An increased 48-h EC₅₀ value for D. magna or reduced toxicity resulting from the addition of HCO-40 to the test medium was observed for five of the eight chems. examined Each of eight chems. was dissolved in water at a concentration of either 10 mg/L or 1.0 mg/L, with or without DMF or HCO-40. Silicone film as a model of a biol. membrane was then immersed in each solution, and the concentration of each chem. in the water was monitored until equilibrium was reached for each test substance, after which the adsorbed amount of each chem. was determined The amounts of p-pentylphenol and four other substances with log P_ow (1-octanol/water partition coefficient) values greater than 3.4 adsorbed onto the silicone film decreased with increasing concentrations of HCO-40. However, 3-chloro-4-fluoronitrobenzene and two other substances with log P_ow values less than 2.6 demonstrated no changes in adsorption with either increasing HCO-40 concentration or the addition of DMF. The reduced adsorption in the presence of a vehicle on the silicone film correlated closely with changes in toxicity. These results indicate that the methodol. developed in this study enables the prediction of changes in toxicity resulting from the addition of vehicles to a test system.

Chemosphere published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application of 3-Chloro-4-fluoronitrobenzene.

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

Arisawa, Mieko published the artcileRhodium-catalyzed synthesis of benzofurans by the reaction of ketones and o-difluorobenzenes, Quality Control of 350-30-1, the publication is Heterocycles (2012), 86(2), 1103-1118, database is CAplus.

In the presence of catalytic amounts of RhH(PPh₃)₄ and 1,2-bis(diphenylphosphino)ethane (dppe), ketones reacted with o-difluorobenzenes giving benzofurans in high yields. The α-arylation of ketones and furan cyclization proceeded without using a base. Benzofuran cyclization was applied to substituted pentafluorobenzenes to give 6-substituted-4,5,7-trifluorobenzofuranes.

Heterocycles published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Quality Control of 350-30-1.

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

Jagadeesh, Rajenahally V. published the artcileNitrogen-Doped Graphene-Activated Iron-Oxide-Based Nanocatalysts for Selective Transfer Hydrogenation of Nitroarenes, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is ACS Catalysis (2015), 5(3), 1526-1529, database is CAplus.

Nanoscaled iron oxides on carbon were modified with nitrogen-doped graphene (NGr) and found to be excellent catalysts for the chemoselective transfer hydrogenation of nitroarenes to anilines. Under standard reaction conditions, a variety of functionalized and structurally diverse anilines, which serve as key building blocks and central intermediates for fine and bulk chems., were synthesized in good to excellent yields.

ACS Catalysis published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Jagadeesh, Rajenahally V. published the artcileMOF-derived cobalt nanoparticles catalyze a general synthesis of amines, Product Details of C6H3ClFNO2, the publication is Science (Washington, DC, United States) (2017), 358(6361), 326-332, database is CAplus and MEDLINE.

The development of base metal catalysts for the synthesis of pharmaceutically relevant compounds remains an important goal of chem. research. Here, we report that cobalt nanoparticles encapsulated by a graphitic shell are broadly effective reductive amination catalysts. Their convenient and practical preparation entailed template assembly of cobalt-diamine-dicarboxylic acid metal organic frameworks on carbon and subsequent pyrolysis under inert atm. The resulting stable and reusable catalysts were active for synthesis of primary, secondary, tertiary, and N-methylamines (more than 140 examples). The reaction couples easily accessible carbonyl compounds (aldehydes and ketones) with ammonia, amines, or nitro compounds, and mol. hydrogen under industrially viable and scalable conditions, offering cost-effective access to numerous amines, amino acid derivatives, and more complex drug targets.

Science (Washington, DC, United States) published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Product Details of C6H3ClFNO2.

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

Senthamarai, Thirusangumurugan published the artcileExpedient Synthesis of N-Methyl- and N-Alkylamines by Reductive Amination using Reusable Cobalt Oxide Nanoparticles, Safety of 3-Chloro-4-fluoronitrobenzene, the publication is ChemCatChem (2018), 10(6), 1235-1240, database is CAplus.

N-Methyl- and N-alkylamines represent important fine and bulk chems. that are extensively used in both academic research and industrial production Notably, these structural motifs are found in a large number of life-science mols. and play vital roles in regulating their activities. Therefore, the development of convenient and cost-effective methods for the synthesis and functionalization of amines by using earth-abundant metal-based catalysts is of scientific interest. In this regard, an expedient reductive amination process for the selective synthesis of N-methylated and N-alkylated amines by using nitrogen-doped, graphene-activated nanoscale Co₃O₄-based catalysts, is reported. Starting from inexpensive and easily accessible nitroarenes or amines and aqueous formaldehyde or aldehydes in the presence of formic acid, this cost-efficient reductive amination protocol allows the synthesis of various N-methyl- and N-alkylamines, amino acid derivatives, and existing drug mols.

ChemCatChem published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C9H9F5Si, Safety of 3-Chloro-4-fluoronitrobenzene.

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

Tripathi, P. N. published the artcileToxicological study of nitrobenzene derivatives against tetrahymena pyriformis using topological parameters, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Chemical and Pharmaceutical Research (2014), 6(5), 848-854, 7 pp., database is CAplus.

Eight topol. descriptors namely molar refractivity, solvent accessible surface area (SASA), shape index (order-1), shape index (order-2), shape index (order-3), valence connectivity index (order-0), valence connectivity index (order-1) and valence connectivity index (order-2) of fifty four nitrobenzene derivatives have been calculated with the help of CAChe Pro of Fujitsu software. Observed toxicities of all compounds are in terms of -log (IGC50), mM, which is the inverse logarithm of the concentration causing 50% growth inhibition of Tetrahymena pyriformis after 40 h. These eight descriptors have been used in developing QSTR models with the help of multi linear regression (MLR) anal. The quality of regression has been adjudged by correlation coefficient, cross validation coefficient and statistical parameters like standard error, standard error of estimate, degrees of freedom etc. The QSTR model developed from descriptors molar refractivity, solvent accessible surface area, shape index (order-1) and valence connectivity index (order-2) have very high predictive power and can be used to find out the toxicity of any new derivative of nitrobenzene. Reliable QSTR model has been obtained from single descriptor shape index (order-1) which is also present in all best four QSTR models. Therefore, shape index (order-1) appears an important descriptor for the toxicol. study of nitrobenzene derivatives

Journal of Chemical and Pharmaceutical Research published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C20H32B2O4, Name: 3-Chloro-4-fluoronitrobenzene.

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