Category: chlorides-buliding-blocks

Khan, Bilal Ahmad published the artcileDesign, synthesis, crystal structures, computational studies, in vitro and in silico monoamine oxidase-A&B inhibitory activity of two novel S-benzyl dithiocarbamates, Computed Properties of 939-99-1, the publication is Journal of Molecular Structure (2022), 133317, database is CAplus.

Two trifluoromethyl containing S-benzyl dithiocarbamates I and II have been successfully synthesized and their structures were evaluated by means of ¹H- and ¹³C-NMR spectroscopy, FT-IR spectroscopy, and single-crystal XRD anal. Both S-benzyl dithiocarbamates differ between them by the position of the trifluoromethyl group in the aromatic ring. The great mol. similarity is reflected in similar crystal structures with similar intermol. interactions. Interestingly, the low temperature used in the XRD anal. showed that compound I is constituted by three conformers while compound II shows two independent conformers in the asym. unit. Considering that each conformer is organized in independent mol. sheets, compound I has a longer c parameter compared to compound II. The position of the trifluoromethyl group also has implications in the chem. behavior which is demonstrated in the HOMO-LUMO orbitals computed by the B3LYP method with 3-21G* basis set. Bioassay outcome displays that both compounds I and II exhibit excellent inhibition potential against monoamine oxidases (MAO-A and MAO-B) with p-CF₃ S-benzyl dithiocarbamate I (IC₅₀=16.02 ± 5.135μg/mL, 1.284 ± 0.66μg/mL) being more efficient than m-CF₃ S-benzyl dithiocarbamate II (IC₅₀=18.37± 4.030μM, 3.164 ± 0.456μM) against MAO-A and MAO-B, resp. The results of binding energy values computed via docking studies showed a remarkable agreement with in-vitro results.

Journal of Molecular Structure 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 C8H6ClF3, Computed Properties of 939-99-1.

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

Huang, Yunsheng published the artcileSynthesis and Quantitative Structure-Activity Relationships of N-(1-Benzylpiperidin-4-yl)phenylacetamides and Related Analogs as Potent and Selective σ₁ Receptor Ligands, HPLC of Formula: 33697-81-3, the publication is Journal of Medicinal Chemistry (1998), 41(13), 2361-2370, database is CAplus and MEDLINE.

A series of N-(1-benzylpiperidin-4-yl)phenylacetamide derivatives was synthesized and evaluated for affinity at σ₁ and σ₂ receptors. Most of these compounds showed a high affinity for σ₁ receptors and a low to moderate affinity for σ₂ receptors. The unsubstituted compound N-(1-benzylpiperidin-4-yl)phenylacetamide displayed a high affinity and selectivity for σ₁ receptors (K_i values of 3.90 nM for σ₁ receptors and 240 nM for σ₂ receptors). The influence of substitutions on the phenylacetamide aromatic ring on binding at both the σ₁ and σ₂ receptor has been examined through Hansch-type quant. structure-activity relationship (QSAR) studies. In general, all 3-substituted compounds, except for the OH group, had a higher affinity for both σ₁ and σ₂ receptors when compared with the corresponding 2- and 4-substituted analogs. The selectivity for σ₁ receptors displayed a trend of 3 > 2 â‰?4 for Cl, Br, F, NO₂, and OMe substituted analogs. Halogen substitution on the aromatic ring generally increased the affinity for σ₂ receptors while maintaining a similar affinity for σ₁ receptors. Substitution with electron-donating groups, such as OH, OMe, or NH₂, resulted in weak or negligible affinity for σ₂ receptors and a moderate affinity for σ₁ receptors. The compds tested had no affinity for dopamine D₂ (IC₅₀ > 10,000 nM) and D₃ (IC₅₀ > 10,000 nM) receptors. The nanomolar binding affinity and high selectivity for σ₁ receptors suggest that these compounds may be developed as potential radiotracers for positron emission tomog. or single photon emission computerized tomog. imaging studies.

Journal of Medicinal Chemistry published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, HPLC of Formula: 33697-81-3.

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

Baladi, Tom published the artcileSulfonylguanidine Derivatives as Potential Antimelanoma Agents, Recommanded Product: Coumarin-6-sulfonyl chloride, the publication is ChemMedChem (2020), 15(13), 1113-1117, database is CAplus and MEDLINE.

Sulfonylguanidines are interesting bioactive compounds with a broad range of applications in the treatment of different pathologies. 2-Aminobenzazole-based structures are well employed in the development of new anticancer drugs. Two series of novel N-benzazol-2-yl-N’-sulfonyl guanidine derivatives were synthesized with the sulfonylguanidine in either an extra- or intracyclic frame. They were evaluated for their antiproliferative activity against malignant melanoma tumor cells, thus allowing structure-activity relationships to be defined. Addnl., NCI-60 screening was performed for the best analog to study its efficiency against a panel of other cancer cell lines. The stability profile of this promising compound was then validated. During the synthetic process, an unexpected new deamidination of the sulfonylguanidine towards sulfonamide function was also identified.

ChemMedChem 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 C9H5ClO4S, Recommanded Product: Coumarin-6-sulfonyl chloride.

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

Pfeifer, Annett published the artcileSynthesis and characterization of novel water-soluble and bactericidic cationic starch esters, Category: chlorides-buliding-blocks, the publication is Starch/Staerke (2017), 69(9-10), n/a, database is CAplus.

Novel water-soluble cationic starch esters, namely starch-4-(N,N,N-trimethylammonium)butyrate chloride with high degree of substitution (DS) of up to 0.7 could be easily prepared by conversion of starch of different molar mass with the imidazolide of 3-carboxypropyltrimethylammonium chloride (CPTMACl) homogeneously in DMSO (DMSO). The products were characterized in detail by FTIR and NMR spectroscopy, including two-dimensional methods. The cationic starch esters possess a high antibacterial activity.

Starch/Staerke published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Category: chlorides-buliding-blocks.

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

Boudjouk, Philip published the artcileHydrosilylation catalyzed by activated nickel, Computed Properties of 14799-94-1, the publication is Journal of the Chemical Society, Chemical Communications (1991), 1424-5, database is CAplus.

Activated nickel, prepared by lithium reduction of nickel iodide under sonication, efficiently catalyzes the hydrosilylation of 1-hexene, styrene, vinyl Bu ether and acrylonitrile under mild conditions. Thus, 1-hexene gave 94% Cl₃Si(CH₂)₅Me with Cl₃SiH.

Journal of the Chemical Society, Chemical Communications published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Computed Properties of 14799-94-1.

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

Chai, Xianzhi published the artcileTargeted photoswitchable imaging of intracellular glutathione by a photochromic glycosheet sensor, Related Products of chlorides-buliding-blocks, the publication is Beilstein Journal of Organic Chemistry (2019), 2380-2389, database is CAplus and MEDLINE.

The development of photochromic fluorescence sensors with dynamic and multiple-signaling is beneficial to the improvement of biosensing/imaging precision. However, elaborate designs with complicated mol. structures are always required to integrate these functions into one mol. By taking advantages of both redox-active/high loading features of two-dimensional (2D) manganese dioxide (MnO₂) and dynamic fluorescence photoswitching of photochromic sensors, we here design a hybrid photochromic MnO₂ glycosheet (Glyco-DTE@MnO₂) to achieve the photoswitchable imaging of intracellular glutathione (GSH). The photochromic glycosheet manifests significantly turn-on fluorescence and dynamic ON/OFF fluorescence signals in response to GSH, which makes it favorable for intracellular GSH double-check in targeted human hepatoma cell line (HepG2) through the recognition between β-D-galactoside and asialoglycoprotein receptor (ASGPr) on cell membranes. The dynamic fluorescence signals and excellent selectivity for detection and imaging of GSH ensure the precise determination of cell states, promoting its potential applications in future disease diagnosis and therapy.

Beilstein Journal of Organic Chemistry 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, Related Products of chlorides-buliding-blocks.

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

Chai, Guo-Li published the artcileHydroxytetraphenylenes as Chiral Ligands: Application to Asymmetric Darzens Reaction of Diazoacetamide with Aldehydes, Name: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Synthesis (2017), 49(1), 181-187, database is CAplus.

Hydroxytetraphenylenes with rigid conformations are potential candidates for employment as chiral ligands in asym. synthesis. Highly diastereo- and enantioselective Darzens reactions between aldehydes and diazo-N,N-dimethylacetamide are catalyzed by a chiral titanium complex formed in situ from Ti(OⁱPr)₄ and chiral 1,16-dihydroxytetraphenylene, giving cis-glycidic amides in moderate to high yields with excellent enantiomeric purities (40-99% yield, up to 99% ee).

Synthesis published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Name: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

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

Chen, Jing-Xing published the artcileSynthesis and Chiroptical Properties of Double-Helical (M)- and (P)-o-Oligophenylenes, Safety of ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Organic Letters (2015), 17(17), 4296-4299, database is CAplus and MEDLINE.

All of the M and P isomers of optically pure oligophenylenes with 6, 8, 10, and 12 Ph rings were synthesized and fully characterized. The Suzuki cross-coupling reaction has been revealed to be a viable strategy in the syntheses of tetraphenylene derivatives, which, together with the copper-mediated oxidative cross-coupling reaction, were employed in the quest for the oligophenylenes [e.g., (S,S)-I + (M)-II â†?(M)-III (5%) + (M)-IV (6%) + (M)-V (9%) using t-BuLi/CuCl₂]. X-ray diffraction anal. in combination with sp. rotation and CD spectroscopy unambiguously identified the unique covalent double-helical frameworks of these oligophenylene mols.

Organic Letters published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Safety of ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

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

Kang, Seung-Hyun published the artcilePhosphonium Chloride-Catalyzed Dehydrochlorinative Coupling Reactions of Alkyl Halides with Hydridochlorosilanes, Name: Dichloro(hexyl)(methyl)silane, the publication is Organometallics (2003), 22(3), 529-534, database is CAplus.

The dehydrochlorinative Si-C coupling reactions of various primary and secondary alkyl chlorides with hydridochlorosilanes in the presence of tetrabutylphosphonium chloride as catalyst gave the coupling products with elimination of HCl as a gas. For example, RCl (R = CH₂C₆H₄X-p; X = H, Cl, F, Me, MeO), when coupled with HSiCl₃ in the presence of catalytic amounts of phosphonium salts [Bu₄Y]Z (Y = P, N; Z = Cl, Br, I) gave RSiCl₃ (R = same as above) in 80-96% yields. Coupling reactions of activated alkyl chlorides such as benzyl chlorides proceeded at 130°, while unactivated organic chlorides such as silylalkyl chlorides and secondary alkyl chlorides required higher reaction temperatures of 150 or 170° and longer reaction times. Primary alkyl chlorides reacted with trichlorosilane (1) to give coupling products in good to excellent yields, but secondary alkyl chlorides reacted at a slower rate and gave lower yields of products. Coupling reactions with methyldichlorosilane instead of 1 proceeded at slower rates and gave lower yields of products.

Organometallics published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Name: Dichloro(hexyl)(methyl)silane.

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

Zhu, Junsheng published the artcileDesign, Synthesis, X-ray Crystallographic Analysis, and Biological Evaluation of Thiazole Derivatives as Potent and Selective Inhibitors of Human Dihydroorotate Dehydrogenase, Name: 3-Chloro-4-fluoronitrobenzene, the publication is Journal of Medicinal Chemistry (2015), 58(3), 1123-1139, database is CAplus and MEDLINE.

N-arylthiazoleamines such as (arylamino)thiazolecarboxylates I (R = Ph, 4-MeOC₆H₄, 4-ClC₆H₄, 4-F₃CC₆H₄, 4-F₃CC₆H₄, 4-t-BuC₆H₄, 4-Cl-3-F₃CC₆H₃, 4-Br-3-F₃CC₆H₃, 3,4-Cl₂C₆H₃, 3,5-Cl₂C₆H₃, 4-Br-2-MeC₆H₃, 5-indanyl, 1,3-benzodioxol-5-yl, 5,6,7,8-tetrahydro-2-naphthyl, 2-naphthyl, 2-anthracenyl, 4-PhC₆H₄, 2-R¹-6-R²-4-R³C₆H₂, 3-Cl-4-R⁴OC₆H₃; R¹, R² = H, F; R³ = Ph, 3-MeOC₆H₄; R⁴ = Ph, PhCH₂, 2-Cl-6-FC₆H₃CH₂) were prepared as inhibitors of human dihydroorotate dehydrogenase (HsDHODH), a potential therapeutic target for the treatment of rheumatoid arthritis and other autoimmune diseases; their calculated and exptl. binding to HsDHODH and binding to the corresponding enzyme from Plasmodium falciparum were determined The structures of complexes of two arylaminotriazoles bound to HsDHODH were determined by X-ray crystallog.; the structures confirmed that the inhibitors bound at the putative ubiquinone binding tunnel and guided the development of improved analogs, such as I (R = 5-indanyl). I (R = 5-indanyl) inhibited inflammation and alleviated foot swelling in rats.

Journal of Medicinal Chemistry 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 C5H10Cl3O3P, Name: 3-Chloro-4-fluoronitrobenzene.

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