Category: chlorides-buliding-blocks

Futsaeter, Nils published the artcileStudies of hydrogen bonding. XXXI. NMR studies of solute-solute-solvent interaction, Application of Diethyltrichloromethylphosphonate, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1980), 36A(12), 1083-8, database is CAplus.

The interactions of 2-methyl-6-tert-butylphenol (I) with CHCl₃ and phosphoryl compds, e.g. (Me₂N)₃PO, in cyclohexane, CHCl₃, and CCl₄ solutions were studied by NMR; thermodn. calculations were also reported. H-bonding was proposed; its extent was solvent dependent. The association constant (K) values indicated 1:1 association in all cases. The K values for the association of I with the phosphoryl compounds were less for the CHCl₃ than for the other solutions This change was attributed to the competitive equilibrium between solvent and solute and was discussed and correlated with the proton acceptor or donor property of the solvent.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 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, Application of Diethyltrichloromethylphosphonate.

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

Couture, Axel published the artcileA convenient synthetic methodology for the elaboration of the pyrido[2,3-b]- or -[3,4-b]pyrazine and -[1,4]diazepine skeletons, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, the publication is Synthesis (1991), 982-4, database is CAplus.

The condensation of the anion of (acylamino)chloropyridines I (X, Y = N, CH; R = H, Me; R¹ = H, Cl) with R²CHCl(CH₂)_nNMe₂·HCl gave efficiently tetrahydropyridopyrazines II (n = 1) and tetrahydropyridodiazepines II (n = 2).

Synthesis published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, Application of 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride.

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

Alepee, Nathalie published the artcileUsefulness of the EpiSkin reconstructed human epidermis model within Integrated Approaches on Testing and Assessment (IATA) for skin corrosion and irritation, Category: chlorides-buliding-blocks, the publication is Toxicology In Vitro (2019), 147-167, database is CAplus and MEDLINE.

Predictive capacity of the EpiSkin model was evaluated on 87 chems. using the Bottom-Up and the Top-Down testing approaches recommended within Integrated Approach on Testing and Assessment for the identification of both skin irritation and corrosion hazards. Classified (UN GHS Cat. 1 and Cat. 2) chems. were identified with a very high sensitivity (�4%) and the non-classified (UN GHS Cat. 3 and No Cat.) chems. with an appropriate specificity (70%). Very high sensitivities were obtained for the identification of Cat. 1 chems. (�8%), very high specificities for non-Cat. 1 chems. (93%), and accuracies of -95% for the identification of skin corrosives vs. non-corrosives by both approaches. Overall accuracies of 72% were found for predicting the single (sub)categories: non-classified, Cat. 2, Subcat. 1B/1C and Subcat. 1A. Results indicated the testing strategies to be more predictive than the individual assays on a conservative safety approach. Finally, no extreme misclassifications (no under-prediction of in vivo Subcat. 1A as non-Cat. 1, and no over-prediction of non-classified chem. as Subcat. 1A) occur. These findings, independently of the approach used, confirm the usefulness of the EpiSkin in vitro model for a safe prediction of the skin irritant and corrosive hazards of chems.

Toxicology In Vitro 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

Sanchez, Rafael S. published the artcileLight- and Redox-Controlled Fluorescent Switch Based on a Perylenediimide-Dithienylethene Dyad, Synthetic Route of 219537-97-0, the publication is Journal of Physical Chemistry C (2012), 116(12), 7164-7172, database is CAplus.

The development of luminescent materials that are sensitive to both optical and elec. stimuli is of high interest for the fabrication of future information-processing devices. In this study we report about a novel fluorescent mol. switch (1) that can be light- and redox-controlled. This compound has been synthesized by covalent tethering of a perylenediimide fluorophore (PDI) to a dithienylethene (DTE) unit. The photochromic properties of the DTE group are preserved in the dyad, which can be reversibly converted between open (1o) and closed (1c) states upon irradiation In addition, 1 displays electrochromicity, and its ring-opening process can be promoted quant. by electrochem. oxidation Whereas the open-ring state of the switch is highly fluorescent, the emission of the PDI group in 1c is quenched by energy transfer to the DTE group. This allows large fluorescence modulation between the two states of 1, which can be operated either as an all-optical switch or by a combination of photo- and electrochem. stimuli.

Journal of Physical Chemistry C published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C15H14Cl2S2, Synthetic Route of 219537-97-0.

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

Garcia-Lopez, Jose-Antonio published the artcileUse of 2-Bromophenylboronic Esters as Benzyne Precursors in the Pd-Catalyzed Synthesis of Triphenylenes, SDS of cas: 1451393-45-5, the publication is Organic Letters (2014), 16(9), 2338-2341, database is CAplus and MEDLINE.

Ortho-Substituted aryl boronates, e.g., I (X= Br, OTf), are introduced as aryne precursors for transition-metal-catalyzed transformations. On treatment with ^tBuOK and Pd(0), metal-bound aryne intermediates are formed that undergo effective trimerization to form useful triphenylene compds, e.g., II. For meta-substituted arynes, the 3:1 product ratio in favor of non-C₃ sym. material is indicative of a benzyne mechanism.

Organic Letters published new progress about 1451393-45-5. 1451393-45-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (2-Bromo-4-chlorophenyl)boronic acid, and the molecular formula is C6H5BBrClO2, SDS of cas: 1451393-45-5.

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

Giampietro, Letizia published the artcileSynthesis, structure-activity relationships and molecular docking studies of phenyldiazenyl sulfonamides as aromatase inhibitors, Application In Synthesis of 254749-11-6, the publication is European Journal of Medicinal Chemistry (2021), 113737, database is CAplus and MEDLINE.

In this respect, a series of phenyldiazenyl sulfonamides (E)-RS(O)₂NHC₆H₄N=NC₆H₅ (R = Me, Ph, 5-chlorothiophen-2-yl, etc.) and (E)-I was designed, synthesized and tested. Compounds (E)-RS(O)₂NHC₆H₄N=NC₆H₅ (R = 4-cyanophenyl, 2,4-dimethoxyphenyl (II)), and (E)-I (R = 2,4-dimethoxyphenyl) showed an aromatase inhibition in the micromolar range and were evaluated in vitro on the human breast cancer cell line MCF7 by MTT assay, cytotoxicity assay (LDH release), cell cycle anal. and apoptosis, revealing a dose-dependent inhibition profile. In particular, (II) displayed the best reduction in terms of metabolic activity and an anti-proliferative effect on MCF7 cells, being blocked in the G1/S phase checkpoint. Moreover, computational studies were carried out to better understand at a mol. level of detail the rationale behind the effective binding to the active site of aromatase of the more active inhibitor (II). The obtained results allow to consider this compound as an interesting lead for the development of a new class of non-steroidal aromatase inhibitors.

European Journal of Medicinal Chemistry published new progress about 254749-11-6. 254749-11-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Benzene, name is 2-Chloro-4-cyanobenzene-1-sulfonyl chloride, and the molecular formula is C7H3Cl2NO2S, Application In Synthesis of 254749-11-6.

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

Maccallini, Cristina published the artcileNew azolyl-derivatives as multitargeting agents against breast cancer and fungal infections: synthesis, biological evaluation and docking study, Name: 2-Chloro-4-cyanobenzene-1-sulfonyl chloride, the publication is Journal of Enzyme Inhibition and Medicinal Chemistry (2021), 36(1), 1631-1644, database is CAplus and MEDLINE.

Nonsteroidal aromatase inhibitors (NSAIs) are well-established drugs for the therapy of breast cancer. However, they display some serious side effects, and their efficacy can be compromised by the development of chemoresistance. Previously, we have reported different indazole-based carbamates and piperidine-sulfonamides as potent aromatase inhibitors. Starting from the most promising compounds, here we have synthesized new indazole and triazole derivatives and evaluated their biol. activity as potential dual agents, targeting both the aromatase and the inducible nitric oxide synthase, being this last dysregulated in breast cancer. Furthermore, selected compounds were evaluated as antiproliferative and cytotoxic agents in the MCF-7 cell line. Moreover, considering the therapeutic diversity of azole-based compounds, all the synthesized compounds were also evaluated as antifungals on different Candida strains. A docking study, as well as mol. dynamics simulation, were carried out to shed light on the binding mode of the most interesting compound into the different target enzymes catalytic sites.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about 254749-11-6. 254749-11-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Benzene, name is 2-Chloro-4-cyanobenzene-1-sulfonyl chloride, and the molecular formula is C7H3Cl2NO2S, Name: 2-Chloro-4-cyanobenzene-1-sulfonyl chloride.

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

Wilson, Claire M. published the artcileEnantiospecific sp²-sp³ Coupling of ortho- and para-Phenols with Secondary and Tertiary Boronic Esters, COA of Formula: C6H5BBrClO2, the publication is Angewandte Chemie, International Edition (2017), 56(51), 16318-16322, database is CAplus and MEDLINE.

The coupling of ortho- and para-phenols with secondary and tertiary boronic esters has been explored. In the case of para-substituted phenols, after reaction of a dilithio phenolate species with a boronic ester, treatment with Ph₃BiF₂ or Martin’s sulfurane gave the coupled product with complete enantiospecificity. The methodol. was applied to the synthesis of the broad spectrum antibacterial natural product (-)-4-(1,5-dimethylhex-4-enyl)-2-methylphenol. For ortho-substituted phenols, initial incorporation of a benzotriazole on the phenol oxygen atom was required. Subsequent ortho-lithiation and borylation gave the coupled product, again with complete stereospecificity.

Angewandte Chemie, International Edition published new progress about 1451393-45-5. 1451393-45-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (2-Bromo-4-chlorophenyl)boronic acid, and the molecular formula is C11H8O3, COA of Formula: C6H5BBrClO2.

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

Cannon, Joseph G. published the artcileVinyl ethers of choline and congeners, COA of Formula: C5H13Cl2N, the publication is Journal of Medicinal Chemistry (1976), 19(7), 934-7, database is CAplus and MEDLINE.

The vinyl ethers of choline and of its α- and β-methyl homologs were prepared to determine their cholinergic effects and to determine whether a separation of the dual physiol. activity (nicotinic and muscarinic) reported for the choline vinyl ether iodide [24586-04-7] could be achieved by this modification. A literature method of vinyl transetherification of amino alcs. was studied and modified. (±)-2-(Dimethylamino)-1-propyl vinyl ether methiodide [59309-74-9] was prepared by vinyl transetherification of 2-dimethylamino-1-propanol [15521-18-3]. However, when this procedure was attempted on 1-dimethylamino-2-propanol [108-16-7], only a 4% yield of the vinyl ether was obtained. (±)-1-(Dimethylamino)-2-propyl vinyl ether methiodide [59276-15-2] was prepared by Hofmann degradation of (±)-2,4-dimethylmorpholine methiodide [59229-59-3]. Two independent, unequivocal syntheses of the (±)-1-(dimethylamino)2-propyl ethyl ether methiodide [99159-81-6] have been accomplished. The 2 literature methods for synthesis of this compound were found to be equivocal, and therefore, the biol. data previously reported for this compound may not be valid. Structure activity relationships of the ethers with respect to nicotinic and muscarinic activities are discussed.

Journal of Medicinal Chemistry published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C5H13Cl2N, COA of Formula: C5H13Cl2N.

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

Mahindra, Amit published the artcileAntiplasmodial activity of short peptide-based compounds, COA of Formula: C19H14Cl2, the publication is RSC Advances (2015), 5(29), 22674-22684, database is CAplus.

Three series of short peptide-based compounds were synthesized, which upon evaluation against chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum in vitro, produced IC₅₀ values ranging between 1.4-4.7 μg mL^-1. Importantly, higher antimalarial activity against the drug-resistant strain of P. falciparum (W2) was observed for the tested peptides, indicating their potential in the treatment of drug-resistant malaria parasites. The lack of cytotoxicity in all tested peptides provides evidence of their safety profile. The selected peptides were evaluated in an enzymic inhibitory assay against plasmepsin II, a potential target for antiplasmodial activity, also indicated from the results of the mol. docking studies.

RSC Advances published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, COA of Formula: C19H14Cl2.

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