Category: chlorides-buliding-blocks

Polgar, Laszlo published the artcileRetrospective screening of relevant pesticide metabolites in food using liquid chromatography high resolution mass spectrometry and accurate-mass databases of parent molecules and diagnostic fragment ions, Recommanded Product: N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine, the publication is Journal of Chromatography A (2012), 83-91, database is CAplus and MEDLINE.

In recent years, the detection and characterization of relevant pesticide metabolites in food is an important task in order to evaluate their formation, kinetics, stability, and toxicity. In this article, a methodol. for the systematic screening of pesticides and their main metabolites in fruit and vegetable samples is described, using LC-HRMS and accurate-mass database search of parent compounds and their diagnostic fragment ions. The approach is based on (i) search for parent pesticide mols.; (ii) search for their metabolites in the pos. samples, assuming common fragmentation pathways between the metabolites and parent pesticide mols.; and (iii) search for pesticide conjugates using the data from both parent species and diagnostic fragment ions. An accurate-mass database was constructed consisting of 1396 compounds (850 parent compounds, 447 fragment ions and 99 metabolites). The screening process was performed by the software in an automated fashion. The proposed methodol. was evaluated with 29 incurred samples and the output obtained was compared to standard pesticide testing methods (targeted LC-MS/MS). Examples on the application of the proposed approach are shown, including the detection of several pesticide glycosides derivatives, which were found with significantly relevant intensities. Glucose-conjugated forms of parent compounds (e.g., fenhexamid-O-glucoside) and those of metabolites (e.g., despropyl-iprodione-N-glycoside) were detected. Facing the lack of standards for glycosylated pesticides, the study was completed with the synthesis of fenhexamid-O-glucoside for quantification purposes. In some cases the pesticide derivatives were found in a relatively high ratio, drawing the attention to these kinds of metabolites and showing that they should not be neglected in multi-residue methods. The global coverage obtained on the 29 analyzed samples showed the usefulness and benefits of the proposed approach and highlights the practical benefit obtained when the so-called screening methods are used as a complementary tool to standard targeted LC-MS/MS methods.

Journal of Chromatography A published new progress about 67747-01-7. 67747-01-7 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Ether,Benzene Compounds, name is N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine, and the molecular formula is C11H14Cl3NO, Recommanded Product: N-(2-(2,4,6-Trichlorophenoxy)ethyl)propan-1-amine.

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

Sebastian-Perez, Victor published the artcileDeciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools, COA of Formula: C8H6ClF3, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2020), 35(1), 511-523, database is CAplus and MEDLINE.

A previous phenotypic screening campaign led to the identification of a quinazoline derivative with promising in vitro activity against Schistosoma mansoni. Follow-up studies of the antischistosomal potential of this candidate are presented here. The in vivo studies in a S. mansoni mouse model show a significant reduction of total worms and a complete disappearance of immature eggs when administered concomitantly with praziquantel in comparison with the administration of praziquantel alone. This fact is of utmost importance because eggs are responsible for the pathol. and transmission of the disease. Subsequently, the chem. optimization of the structure in order to improve the metabolic stability of the parent compound was carried out leading to derivatives with improved drug-like properties. Addnl., the putative target of this new class of antischistosomal compounds was envisaged by using computational tools and the binding mode to the target enzyme, aldose reductase, was proposed.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C9H5ClO4S, COA of Formula: C8H6ClF3.

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

Seth, Kapileswar published the artcile2-(2-Arylphenyl)benzoxazole As a Novel Anti-Inflammatory Scaffold: Synthesis and Biological Evaluation, Formula: C9H12BClO3, the publication is ACS Medicinal Chemistry Letters (2014), 5(5), 512-516, database is CAplus and MEDLINE.

The 2-(2-arylphenyl)benzoxazole moiety has been found to be a new and selective ligand for the enzyme cyclooxygenase-2 (COX-2). The 2-(2-arylphenyl)benzoxazoles I [R = (un)substituted Ph] have been synthesized by Suzuki reaction of 2-(2-bromophenyl)benzoxazole. The compounds II, III, and IV selectively inhibited COX-2 with selectivity index of III much better than that of the COX-2 selective NSAID celecoxib. The in vivo anti-inflammatory potency of II and III is comparable to that of celecoxib and the nonselective NSAID diclofenac at two different doses, and IV showed better potency compared to these clin. used NSAIDs.

ACS Medicinal Chemistry Letters published new progress about 480438-56-0. 480438-56-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is 3-Chloro-4-isopropoxyphenylboronic acid, and the molecular formula is C13H10O2, Formula: C9H12BClO3.

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

Niculescu-Duvaz, Dan published the artcilePyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF), SDS of cas: 32333-53-2, the publication is Journal of Medicinal Chemistry (2009), 52(8), 2255-2264, database is CAplus and MEDLINE.

BRAF is a serine/threonine kinase that is mutated in a range of cancers, including 50-70% of melanomas, and has been validated as a therapeutic target. The authors have designed and synthesized mutant BRAF inhibitors containing pyridoimidazolone as a new hinge-binding scaffold. Compounds have been obtained which have low nanomolar potency for mutant BRAF (12 nM for compound I) and low micromolar cellular potency against a mutant BRAF melanoma cell line, WM266.4. The series benefits from very low metabolism, and pharmacokinetics (PK) that can be modulated by methylation of the NH groups of the imidazolone, resulting in compounds with fewer H-donors and a better PK profile. These compounds have great potential in the treatment of mutant BRAF melanomas.

Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, SDS of cas: 32333-53-2.

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

Niculescu-Duvaz, Dan published the artcilePyridoimidazolones as Novel Potent Inhibitors of v-Raf Murine Sarcoma Viral Oncogene Homologue B1 (BRAF). [Erratum to document cited in CA150:472622], Recommanded Product: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, the publication is Journal of Medicinal Chemistry (2009), 52(18), 5770, database is CAplus.

On page 2256, the authors have been notified by Plexxikon that the structure of PLX4032, published in Expert Opin. Ther. Targets 2007, 11, (12), 1587-1609 (Figure 4) in Figure 1, was incorrect and the correct one has not been released.

Journal of Medicinal Chemistry published new progress about 32333-53-2. 32333-53-2 belongs to chlorides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Chloride,Sulfonyl chlorides,Benzene, name is 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride, and the molecular formula is C7H3Cl2F3O2S, Recommanded Product: 4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride.

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

Burlyka, A. F. published the artcileFungus-resistant gypsum-paperboard sheets, Category: chlorides-buliding-blocks, the publication is Stroitel’nye Materialy i Konstruktsii (1988), 18, database is CAplus.

Application of 0.2-1.4% aqueous solutions of Katapin to the outer surfaces of gypsum boards gave good antifungal protection. Treatment with a bitumen mastic, Polidim, Decamethoxine, and Fosulen gave unsatisfactory results.

Stroitel’nye Materialy i Konstruktsii published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Category: chlorides-buliding-blocks.

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

Whitfield, Robert E. published the artcileFlame-resistant wool. IV. Chemical modification of wool with haloorganic acid halides, Application of 2,3-Dibromopropionylchloride, the publication is Textile Research Journal (1972), 42(9), 533-5, database is CAplus.

The flame resistance of wool fabrics was increased by treatment with aliphatic haloorganic acid halides, e.g. trichloroacetyl chloride [76-02-8] and 2-bromopropionyl bromide [563-76-8], in DMF for 15-30 min at 50°; both Cl and Br derivatives were effective. At least 2% combined halogen was necessary to protect woolen fabrics. The flame resistance was durable to drycleaning and laundering. Prior stabilization of the fabric to felting shrinkage was needed to evaluate durability of flame resistance to laundering.

Textile Research Journal published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C10H12O5, Application of 2,3-Dibromopropionylchloride.

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

Kozlov, S. A. published the artcileEstablishment of reasons for the formation of chloric-organic compounds in commodity oil, Synthetic Route of 1002-41-1, the publication is Neftepromyslovoe Delo (2019), 64-69, database is CAplus.

At present, normative documents set strict requirements to the amount of light organic-chloric compounds (LOHC) in oil intended for delivery to pipeline transportation system. LOHC high concentrations in oil and oil fractions increase the intensity of corrosion and the sedimentation amount inside the technol. equipment, on the equipment surface as well deactivation of the catalytic compositions during oil refining processes. That’s why, with account of the above-said, the problems of LOHC amount control in oil and fixing the reasons for their occurrence are very urgent oil production and oil processing enterprises. The paper analyzes the possible reasons for registering LOHC increased amounts The determination of LOHC in oils and acidic compounds, which are used to enhance oil production is exptl. studied, LOHC possible formation during oil and hydrochloric acid interaction, including in reservoir conditions, is evaluated. The results of exptl. studies have shown that acidic compositions can contain organic-chloric compounds (OCC). It has been established that oil treatment by hydrochloric acid under reservoir conditions provides formation of an addnl. organic-chloric compounds, and LOHC content increases depending on the temperature raise in the reservoir during treatment. The increase of the organic-chloric components concentration in oil also depends on the type of the rock. The use of disintegrated carbonate core, under other equal conditions, compared with the terrigenous rock, leads to a more significant increase in the organic-chloric compounds concentration in oil.

Neftepromyslovoe Delo published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Synthetic Route of 1002-41-1.

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

Cheng, Hua published the artcileSynthesis, biochemical evaluation and computational simulations of new cytochrome bc₁ complex inhibitors based on N-(4-aryloxyphenyl) phthalimides, Application of 3-Chloro-4-fluoronitrobenzene, the publication is Chinese Chemical Letters (2018), 29(12), 1897-1900, database is CAplus.

The cytochrome bc₁ complex (the bc₁ complex or complex III) is an attractive target for the discovery of numerous pharmaceuticals and pesticides. In order to identify new lead structures for this target, a new series of mols., N-(4-aryloxyphenyl)phthalimides, were designed and synthesized in a straightforward manner. Our design strategy was to introduce a 4-aryloxyphenyl group, a fragment which exhibited promising bc1 complex-inhibiting properties, into the aryl group of the valuable N-arylphthalimide backbone. Afterward, the biochem. evaluation of the newly synthesized compounds was carried out, and the results implied that several compounds demonstrated good activities against succinate-cytochrome reductase (SCR, a mixture of mitochondrial complex II and the bc₁ complex). Further studies confirmed that the compound I was identified as an inhibitor of the bc₁ complex. Furthermore, computational simulations were also performed to better understand binding of the compound I to the enzyme complex, which indicated that this compound should bind to the Q_o site of the bc₁ complex. Consequently, we harbor the idea that this paper can provide a solid platform for synthesis and discovery of other bc₁ complex inhibitors.

Chinese Chemical 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, Application of 3-Chloro-4-fluoronitrobenzene.

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

Gramstad, T. published the artcileHydrogen bonding. XIV. Hydrogen bonding of indole to phosphoryl compounds, HPLC of Formula: 866-23-9, the publication is Spectrochimica Acta (1965), 21(3), 503-9, database is CAplus.

cf. ibid. 343; CA 61, 8169h. The K_ass, ΔF, ΔH, ΔS, and ν_1/2 values were determined for the H bond association between indole and 15 organophosphorus compounds. The relation between H bonding ability and Δν_XH for various proton donors with organophosphorus compounds is discussed.

Spectrochimica Acta published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, HPLC of Formula: 866-23-9.

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