Month: December 2022

Salvino, Joseph M. published the artcileNovel small molecule guanidine Sigma1 inhibitors for advanced prostate cancer, Related Products of chlorides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry Letters (2017), 27(10), 2216-2220, database is CAplus and MEDLINE.

Prostate cancer is the most frequently diagnosed malignancy and the leading cause of cancer related death in men. First line therapy for disseminated disease relies on androgen deprivation, leveraging the addiction of these tumors on androgens for both growth and survival. Treatment typically involves antagonizing the androgen receptor (AR) or blocking the synthesis of androgens. Recurrence is common and within 2-3 years patients develop castration resistant tumors that become unresponsive to AR-axis targeted therapies. To provide a more effective treatment, the authors are utilizing an approach that targets a key scaffolding protein, Sigma1 (also known as sigma-1 receptor), a unique 26-kDa integral membrane protein that is critical in stabilizing the AR. Herein the authors report on a new series of Sigma1 compounds for lead optimization derived from a hybrid pharmacophore approach.

Bioorganic & Medicinal Chemistry Letters published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Related Products of chlorides-buliding-blocks.

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

Ramesh, Perla published the artcileRecyclable Aliphatic Nitrile-Template Enabled Remote meta-C-H Functionalization at Room Temperature, Synthetic Route of 51656-68-9, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

This article describes the development of a new aliphatic nitrile-template-directed remote meta-selective C-H olefin functionalization reaction of arenes. Remarkably, unlike the previous reports, this process was feasible at room temperature and enabled the formation of products with excellent regio-selectivity. The present protocol encompasses a broad spectrum of substituted dihydrocinnamic acids and olefins, producing meta-C-H olefinated products (up to 96% yield). In addition, the efficacy of the present method was showcased by the synthesis of various drug analogs (e.g., cholesterol, estrone, ibuprofen, and naproxen). Significantly, the robustness of meta-olefination was also demonstrated by gram-scale synthesis. The new nitrile-based meta-directing template, in particular, could be easily synthesized in two steps and recycled under mild conditions. A, B, and C represent the Intrinsic Reaction Curves (IRCs) for the meta-C-H activation, Alkene Insertion, and β-Hydride elimination, resp., along with the corresponding transition states. CYL view software was used for showing transition state structures.

Journal of Organic Chemistry 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, Synthetic Route of 51656-68-9.

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

Vilsmaier, Elmar published the artcileHaloalkyl thio ethers. II. Reaction of dichloroiodides with thio ethers, Synthetic Route of 1002-41-1, the publication is Justus Liebigs Annalen der Chemie (1971), 62-7, database is CAplus.

Reaction of alkyl thio ethers with 3-(dichloroiodo)pyridine (I) gave 69-72% (α-chloroalkyl) thio ethers. The mechanism of this reaction was investigated. Reaction of I with ethylene sulfide or thietane gave only (ClCH2CH2)2S2 and [Cl(CH2)3]2S2, resp.

Justus Liebigs Annalen der Chemie 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 C19H14Cl2, Synthetic Route of 1002-41-1.

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

Niggemyer, Allison published the artcileIsolation and characterization of a novel As(V)-reducing bacterium: implications for arsenic mobilization and the genus Desulfitobacterium, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Applied and Environmental Microbiology (2001), 67(12), 5568-5580, database is CAplus and MEDLINE.

Dissimilatory arsenate-reducing bacteria have been implicated in the mobilization of arsenic from arsenic-enriched sediments. An As(V)-reducing bacterium, designated strain GBFH, was isolated from arsenic-contaminated sediments of Lake Coeur d’Alene, Idaho. Strain GBFH couples the oxidation of formate to the reduction of As(V) when formate is supplied as the sole carbon source and electron donor. Addnl., strain GBFH is capable of reducing As(V), Fe(III), Se(VI), Mn(IV) and a variety of oxidized sulfur species. 16S ribosomal DNA sequence comparisons reveal that strain GBFH is closely related to Desulfitobacterium hafniense DCB-2^T and Desulfitobacterium frappieri PCP-1^T. Comparative physiol. demonstrates that D. hafniense and D. frappieri, known for reductively dechlorinating chlorophenols, are also capable of toxic metal or metalloid respiration. DNA-DNA hybridization and comparative physiol. studies suggest that D. hafniense, D. frappieri, and strain GBFH should be united into one species. The isolation of an Fe(III)- and As(V)-reducing bacterium from Lake Coeur d’Alene suggests a mechanism for arsenic mobilization in these contaminated sediments while the discovery of metal or metalloid respiration in the genus Desulfitobacterium has implications for environments cocontaminated with arsenious and chlorophenolic compounds

Applied and Environmental Microbiology 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, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Munteanu, Charissa published the artcilePd- and Ni-Based Systems for the Catalytic Borylation of Aryl (Pseudo)halides with B₂(OH)₄, COA of Formula: C12H15ClO3, the publication is Journal of Organic Chemistry (2020), 85(16), 10334-10349, database is CAplus and MEDLINE.

Despite recent advancements in metal-catalyzed borylations of aryl (pseudo)halides, there is a continuing need to develop robust methods to access both early-stage and late-stage organoboron intermediates amendable for further functionalization. In particular, the development of general catalytic systems that operate under mild reaction conditions across a broad range of electrophilic partners remains elusive. Herein, it is reported the development and application of three catalytic systems (two Pd-based and one Ni-based) for the direct borylation of aryl (pseudo)halides using tetrahydroxydiboron (B₂(OH)₄). For the Pd-based catalyst systems, it was identified general reaction conditions that allow for the sequestration of halide ions through simple precipitation that results in catalyst loadings as low as 0.01 mol % (100 ppm) and reaction temperatures as low as room temperature It is also described a complementary Ni-based catalyst system that employs simple unligated Ni(II) salts as an inexpensive alternative to the Pd-based systems for the borylation of aryl (pseudo)halides. Extrapolation of all three systems to a one-pot tandem borylation/Suzuki-Miyaura cross-coupling is also demonstrated on advanced intermediates and drug substances.

Journal of Organic 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 C12H15ClO3, COA of Formula: C12H15ClO3.

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

Zhang, Chun-Hui published the artcileOptimization of triarylpyridinone inhibitors of the main protease of SARS-CoV-2 to low-nanomolar antiviral potency, SDS of cas: 1256345-74-0, the publication is ACS Medicinal Chemistry Letters (2021), 12(8), 1325-1332, database is CAplus and MEDLINE.

Non-covalent inhibitors of the main protease (M^pro) of SARS-CoV-2 having a pyridinone core were previously reported with IC₅₀ values as low as 0.018μM for inhibition of enzymic activity and EC₅₀ values as low as 0.8μM for inhibition of viral replication in Vero E6 cells. The series has now been further advanced by consideration of placement of substituted five-membered-ring heterocycles in the S4 pocket of M^pro and N-methylation of a uracil ring. Free energy perturbation calculations provided guidance on the choice of the heterocycles, and protein crystallog. confirmed the desired S4 placement. Here we report inhibitors with EC₅₀ values as low as 0.080μM, while remdesivir yields values of 0.5-2μM in side-by-side testing with infectious SARS-CoV-2. A key factor in the improvement is enhanced cell permeability, as reflected in PAMPA measurements. Compounds 19 (I) and 21 (II) are particularly promising as potential therapies for COVID-19, featuring IC₅₀ values of 0.044-0.061μM, EC₅₀ values of ca. 0.1μM, good aqueous solubility, and no cytotoxicity.

ACS Medicinal Chemistry Letters published new progress about 1256345-74-0. 1256345-74-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Ether,Boronic Acids,Boronic acid and ester, name is (3-Chloro-5-propoxyphenyl)boronic acid, and the molecular formula is C18H34N4O5S, SDS of cas: 1256345-74-0.

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

Salas-Reyes, V. published the artcileSynthesis and characterization of bis[(3-chloro-4-dodecyloxyphenyl)malondialdehyde] complexes of copper(II) and nickel(II), Synthetic Route of 33697-81-3, the publication is Zeitschrift fuer Naturforschung, B: Chemical Sciences (1996), 51(12), 1679-1682, database is CAplus.

Bis[(3-chloro-4-dodecyloxyphenyl)malondialdehyde] copper(II) and its nickel homolog were synthesized. The Cu complex shows a narrow (15°) nematic phase below its clearing temperature The Ni complex is polymeric in nature.

Zeitschrift fuer Naturforschung, B: Chemical Sciences 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, Synthetic Route of 33697-81-3.

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

Juhl, Martin published the artcilerac-(1S,6S)-Methyl 6-methyl-2-oxobicyclo[4.1.0]heptane-1-carboxylate, Related Products of chlorides-buliding-blocks, the publication is Acta Crystallographica, Section E: Structure Reports Online (2007), 63(2), o838-o839, database is CAplus.

The crystal structure of the title compound, C₁₀H₁₄O₃, was studied as part of a study of the chem. of nucleophilic 1,4-additions to highly electrophilic C=C double bonds. Crystallog. data are given. The cyclohexane ring adopts a half-chair conformation. The crystal packing is stabilized by van der Waals forces.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 5034-06-0. 5034-06-0 belongs to chlorides-buliding-blocks, auxiliary class Salt,Aliphatic hydrocarbon chain, name is trimethyloxosulphonium chloride, and the molecular formula is C3H9ClOS, Related Products of chlorides-buliding-blocks.

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

Wienhoefer, Gerrit published the artcileGeneral and Selective Iron-Catalyzed Transfer Hydrogenation of Nitroarenes without Base, Application In Synthesis of 350-30-1, the publication is Journal of the American Chemical Society (2011), 133(32), 12875-12879, database is CAplus and MEDLINE.

The first well-defined iron-based catalyst system for the reduction of nitroarenes to anilines has been developed applying formic acid as reducing agent. A broad range of substrates possessing other reducible functional groups were converted to the corresponding anilines in good to excellent yields at mild conditions with other function group untouched. Notably, the process constitutes a rare example of base-free transfer hydrogenations.

Journal of the American Chemical Society 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 C9H8BNO2, Application In Synthesis of 350-30-1.

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

Kukhar, V. P. published the artcileStudy of the AT-nucleotide specificity in the reaction of decamethoxine with natural DNA, Recommanded Product: N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Doklady Akademii Nauk SSSR (1989), 305(4), 997-9 [Biophys.], database is CAplus.

Decamethoxine, an antibacterial quaternary ammonium compound, react with high-mol.-weight DNA (from calf thymus) with the formation of a complex compound This reaction was very specific and involved the binding of decamethoxine to AT base pairs of DNA. Possible mechanisms of antibacterial action of decamethoxine are discussed.

Doklady Akademii Nauk SSSR 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, Recommanded Product: N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

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