Month: November 2022

Wendt, Mathias published the artcileBicyclic β-Sheet Mimetics that Target the Transcriptional Coactivator β-Catenin and Inhibit Wnt Signaling, Safety of 2-Chlorotrityl chloride, the publication is Angewandte Chemie, International Edition (2021), 60(25), 13937-13944, database is CAplus and MEDLINE.

Protein complexes are defined by the three-dimensional structure of participating binding partners. Knowledge about these structures can facilitate the design of peptidomimetics which have been applied for example, as inhibitors of protein-protein interactions (PPIs). Even though β-sheets participate widely in PPIs, they have only rarely served as the basis for peptidomimetic PPI inhibitors, in particular when addressing intracellular targets. Here, we present the structure-based design of β-sheet mimetics targeting the intracellular protein β-catenin, a central component of the Wnt signaling pathway. Based on a protein binding partner of β-catenin, a macrocyclic peptide was designed and its crystal structure in complex with β-catenin obtained. Using this structure, we designed a library of bicyclic β-sheet mimetics employing a late-stage diversification strategy. Several mimetics were identified that compete with transcription factor binding to β-catenin and inhibit Wnt signaling in cells. The presented design strategy can support the development of inhibitors for other β-sheet-mediated PPIs.

Angewandte Chemie, International Edition 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 C8H8O3, Safety of 2-Chlorotrityl chloride.

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

Rupitha, N. S. published the artcileEvaluation of fibrates for anticancer activity – an insilico approach, Quality Control of 637-07-0, the publication is Journal of Pharmaceutical Sciences and Research (2020), 12(9), 1198-1200, database is CAplus.

Cancer is a major cause of death throughout the world, and cancer therapy remains a big medical challenge in terms of both its therapeutic efficacy and safety. Therefore, to find out safe anticancer drugs has been major goal for medical scientists. Fibrates class of drugs plays an important role in decreasing the levels of serum cholesterol and triglycerides while increasing the levels of high-d. lipoproteins. Recently, several studies have reveals that fibrates may also have anticancer effects via a variety of pathways involved in apoptosis, cell-cycle arrest, invasion, and migration. Insilico approaches have been applied to evaluate the potential interaction between the target and the fibrate derivatives

Journal of Pharmaceutical Sciences and Research 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, Quality Control of 637-07-0.

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

Florencia, Heinecke published the artcileThe offspring from rats fed a fatty diet display impairments in the activation of liver peroxisome proliferator activated receptor alpha and features of fatty liver disease, Formula: C12H15ClO3, the publication is Molecular and Cellular Endocrinology (2020), 110818, database is CAplus and MEDLINE.

Maternal obesity programs liver derangements similar to those of NAFLD. Our main goal was to evaluate whether these liver anomalies were related to aberrant PPARα function. Obesity was induced in female Albino-Wistar rats by a fatty diet (FD rats). Several parameters related to NAFLD were evaluated in both plasma and livers from fetuses of 21 days of gestation and 140-day-old offspring. FD fetuses and offspring developed increased levels of AST and ALT, signs of inflammation and oxidative and nitrative stress-related damage. FD offspring showed dysregulation of Plin2, CD36, Cyp4A, Aco, Cpt-1, Hadha and Acaa2 mRNA levels, genes involved in lipid metabolism and no catabolic effect of the PPARα agonist clofibrate. These results suggest that the FD offspring is prone to develop fatty liver, a susceptibility that can be linked to PPARα dysfunction, and that this could in turn be related to the liver impairments programmed by maternal obesity.

Molecular and Cellular Endocrinology 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, Formula: C12H15ClO3.

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

Shchetinina, V. N. published the artcileEffect of decamethoxine on the integrity of cytoplasmic membranes of gram-positive and gram-negative microorganisms, Name: N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Mikrobiologicheskii Zhurnal (1978-1993) (1990), 52(3), 24-8, database is CAplus.

Decamethoxine increased the membrane permeability of Pseudomonas aeruginosa, Escherichia coli, and Micrococcus lysodeikticus. Viability decreased and dehydrogenase activity was inhibited. Aspartate and alanine aminotransferases were not inhibited by decamethoxine, and activity even increased. Decamethoxine lysed the protoplasts of these bacteria. At high decamethoxine concentrations (>500 μg/mL for P. aeruginosa and >200 μ/mL for E. coli) the outflow of components from these gram-neg. bacteria ceased; this may be associated with coagulation changes in the cytoplasm. Loss of low-mol. components by M. lysodeikticus cells and protoplast lysis were less than in the gram-neg. microorganisms, explained by less resistance of M. lysodeikticus to decamethoxine and earlier coagulation of the cytoplasm, preventing lysis.

Mikrobiologicheskii Zhurnal (1978-1993) 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 C8H8O3, Name: 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

van Dijken, Derk Jan published the artcileAutoamplification of Molecular Chirality through the Induction of Supramolecular Chirality, Category: chlorides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2014), 53(20), 5073-5077, database is CAplus and MEDLINE.

The novel concept for the autoamplification of mol. chirality, wherein the amplification proceeds through the induction of supramol. chirality, is presented. A solution of prochiral, ring-open diarylethenes is doped with a small amount of their chiral, ring-closed counterpart. The mols. co-assemble into helical fibers through hydrogen bonding and the handedness of the fibers is biased by the chiral, ring-closed diarylethene. Photochem. ring closure of the open diarylethene yields the ring-closed product, which is enriched in the template enantiomer.

Angewandte Chemie, International Edition 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 C18H24N6O6S4, Category: chlorides-buliding-blocks.

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

De, Kakali published the artcileRadiolabeled novel peptide for imaging somatostatin receptor-expressing tumor: synthesis and radiobiological evaluation, Synthetic Route of 42074-68-0, the publication is Journal of Radioanalytical and Nuclear Chemistry (2014), 301(3), 847-861, database is CAplus.

The aim of this study was to synthesis, a radiolabeled (^99mTc) new somatostatin-analog 6-hydrazinopyridine-3-carboxylic-acid (HYNIC)-Asn³-octreotate (^99mTc-HYNIC-AATE), and to evaluate as a candidate for imaging somatostatin-receptor (SSTR)-pos. tumors and also compare it with ^99mTc-HYNIC-Tyr³-octreotide (^99mTc-HYNIC-TOC). Synthesis was performed by Fmoc-solid-phase strategy and ^99mTc labeled by SnCl₂. Biodistribution and imaging properties of new radiopeptide were also studied in C6 tumor bearing rat. Radiolabeling was performed at high specific activities and it showed high binding-affinity for SSTR2. In biodistribution, radiopeptides have showed high and receptor-specific uptake in the SSTR2 pos. organs, tumor with rapid renal excretion from non-target tissues. These results demonstrated that ^99mTc-HYNIC-AATE is a new specific radioligand for scintigraphy of somatostatin-receptor-pos. tumors.

Journal of Radioanalytical and Nuclear Chemistry 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, Synthetic Route of 42074-68-0.

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

Ruiz, Patricia published the artcilePrediction of acute mammalian toxicity using QSAR methods: a case study of Sulfur Mustard and its breakdown products, Application In Synthesis of 1002-41-1, the publication is Molecules (2012), 8982-9001, database is CAplus and MEDLINE.

Predicting toxicity quant., using Quant. Structure Activity Relationships (QSAR), has matured over recent years to the point that the predictions can be used to help identify missing comparison values in a substance’s database. In this manuscript we investigate using the LD that kills 50% of a test population (the LD₅₀) for determining relative toxicity of a number of substances. In general, the smaller the LD₅₀ value, the more toxic the chem., and the larger the LD₅₀ value, the lower the toxicity. When systemic toxicity and other specific toxicity data are unavailable for the chem.(s) of interest, during emergency responses, LD₅₀ values may be employed to determine the relative toxicity of a series of chems. In the present study, a group of chem. warfare agents and their breakdown products were evaluated using 4 available rat oral QSAR LD₅₀ models. The QSAR anal. shows that the breakdown products of Sulfur Mustard (HD) are predicted to be less toxic than the parent compound as well as other known breakdown products that have known toxicities. The QSAR estimated break down products LD₅₀ values ranged from 299 mg/kg to 5,764 mg/kg. This evaluation allows for the ranking and toxicity estimation of compounds for which little toxicity information existed; thus leading to better risk decision making in the field.

Molecules 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, Application In Synthesis of 1002-41-1.

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

Islam, A. M. published the artcileSynthesis and biological activity of coumarin sulfonamides and related compounds, Name: Coumarin-6-sulfonyl chloride, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1982), 21B(5), 487-9, database is CAplus.

The coumarins I [R = BuNH, PhCH₂NH, 2-furylmethylamino, (un)substituted anilino, (un)substituted phenoxy; R¹ = R² = H; X = O] were prepared by treating 6-coumarinylsulfonyl chloride with RH. Some I (R¹ = R² = H) were converted to I (R¹ = R² = Br, R¹ = H, R² = NO₂, R = R¹ = H, X = S, NOH). Some I had bactericidal activity.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 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, Name: Coumarin-6-sulfonyl chloride.

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

Baldwin, Jack E. published the artcile5-Isothiazolidinonyl and 5-isoxazolidinonyl radicals. Approaches to the biogenetic-type synthesis of β-lactams, SDS of cas: 18791-02-1, the publication is Tetrahedron (1981), 37(11), 2181-9, database is CAplus.

A possible mechanism for penicillin biosynthesis involves the rearrangement of a 5-isothiazolidinonyl radical I [R = NHCO(CH₂)₃CH(N⁺H₃)CO₂^–, R¹ = H, R² = CH(CO₂H)CHMe₂] to a β-lactam. However, the model radicals I (R = R¹ = Ph, R² = CMe₃; R = Br₃C, R¹ = H, R² = CMe₃), generated in the conversion of II (R = Br, R¹ = R² = Ph) to II (R = H, R¹, R² as before) and II (RR¹ = bond, R² = H) to II (RR¹ = bond, R² = Br₃C), resp., failed to give β-lactams. The analogous reaction of a 5-isoxazolidinonyl radical is the basis for a potential synthesis of clavulanic acid, but again the rearrangement was not observed in the model radical III (R = H, R¹ = absent) generated in the conversion of III (R = H, R¹ = CO₂OCMe₃) to III (RR¹ = bond).

Tetrahedron 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 C3H3Br2ClO, SDS of cas: 18791-02-1.

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

Gramstad, Thor published the artcileNMR Studies of hydrogen bonding of phenol with several proton acceptors, Recommanded Product: Diethyltrichloromethylphosphonate, the publication is Journal of Molecular Structure (1970), 5(4), 253-61, database is CAplus.

PMR studies are reported of self-association of PhOH in CCl4 and in cyclohexane, and of H bonding between PhOH and 2 carbonyl and several phosphoryl compounds The NMR chem. shift, δx, of a proton in a H bond is dependent on both the temperature and the concentration of the proton acceptor. Furthermore, the chem. shift data at low concentration of proton acceptor suggest the presence of a 2:1 proton donor-acceptor complex in addition to a 1:1 complex. A linear relation exists between the change in chem. shift and O-H stretching frequency shift upon complexation of PhOH with phosphoryl compounds

Journal of Molecular Structure 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, Recommanded Product: Diethyltrichloromethylphosphonate.

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