Month: October 2022

Wei, Haibing; Fang, Xingzhong; Han, Ying; Hu, Benlin; Yan, Qing published the artcile< Synthesis and characterization of poly(thioether ether sulfone imide)s derived from isomeric bis(chlorophthalimide)s and bis(4-mercaptophenyl) sulfone>, Category: chlorides-buliding-blocks, the main research area is polyether polyimide polysulfone polythioether synthesis thermal mech property.

A series of isomeric bis(chlorophthalimide)s (BCPIs) were conveniently prepared from 3-chlorophthalic anhydride, 4-chlorophthalic anhydride, and mixtures thereof. Polymerization of BCPIs with bis(4-mercaptophenyl) sulfone (BMPS) proceeded smoothly in the presence of tributylamine, from which a class of isomeric poly(thioether ether sulfone imide)s (PTESIs) with inherent viscosities of 0.45-0.82 dL/g were obtained. The solubility, thermal stability, and mech. properties of these polymers were characterized. Compared to the PTESIs derived from single BCPIs, i.e., 3,3′-, 3,4′-, or 4,4′-BCPIs, the PTESIs derived from mixed BCPIs showed better solubility and higher storage modulus. These PTESIs also demonstrated good thermal stability, giving only 5% weight loss at temperature of 490° in nitrogen atm. The glass transition temperatures (T gs) of these isomeric PTESIs were between 242 and 265°, and were increased with increasing of the ratio of 3-chlorophthalimide unit in the polymer backbone.

European Polymer Journal published new progress about Complex modulus, tan δ. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Tousi, Shirin Hamed-Akbari; Saberi, Mohammad Reza; Chamani, Jamshidkhan published the artcile< Comparing the interaction of cyclophosphamide monohydrate to human serum albumin as opposed to holo-transferrin by spectroscopic and molecular modeling methods: evidence for allocating the binding site>, Recommanded Product: 2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide hydrate, the main research area is cyclophosphamide serum albumin transferrin spectroscopy modeling.

The interaction between cyclophosphamide monohydrate with human serum albumin (HSA) and human serum transferrin (hTf) was studied with UV absorption, fluorescence and CD spectroscopies as well as mol. modeling. Based on the fluorescence quenching results, it was determined that HSA and hTf had two classes of apparent binding constants and binding sites at physiol. conditions. The KSV1, KSV2, n1 and n2 values for HSA were found to be 8.6 × 108 Lmol-1 6.34 × 108 Lmol-1, 0.7 and 0.8, resp., and the corresponding results for hTf were 6.08 × 107 Lmol-1, 4.65 × 107 Lmol-1, 1.3 and 2.6, resp. However, the binding affinity of cyclophosphamide monohydrate to HSA was more significant than to hTf. CD results demonstrated that the binding of cyclophosphamide to HSA and hTf induced secondary changes in the structure and that the α-helix content became altered into β-sheet, turn and random coil forms. The participation of tyrosyl and tryptophan residues of proteins was also estimated in the drug-HSA and hTf complexes by synchronous fluorescence. The micro-environment of the HSA and hTf fluorophores was transferred to hydrophobic and hydrophilic conditions, resp. The distance r between donor and acceptor was obtained by the Forster energy according to fluorescence resonance energy transfer (FRET) and found to be 1.84 nm and 1.73 nm for HSA and hTf, resp. This confirmed the existence of static quenching for both proteins in the presence of cyclophosphamide monohydrate. Site marker competitive displacement experiments demonstrated that cyclophosphamide bound with high affinity to Site II, sub-domain IIIA of HSA, and for hTf, the C-lobe constituted the binding site. Furthermore, a study of mol. modeling showed that cyclophosphamide situated in domain II in HSA was bound through hydrogen bonding with Arg 257 and Ser 287, and that cyclophosphamide was situated in the C-lobe in hTf, presenting hydrogen bonding with Asp 625 and Arg 453. The modeling data thus confirmed the exptl. results.

Protein & Peptide Letters published new progress about Blood serum albumins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (human). 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Recommanded Product: 2-(Bis(2-chloroethyl)amino)-1,3,2-oxazaphosphinane 2-oxide hydrate.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Schierle, Simone; Chaikuad, Apirat; Lillich, Felix F.; Ni, Xiaomin; Woltersdorf, Stefano; Schallmayer, Espen; Renelt, Beatrice; Ronchetti, Riccardo; Knapp, Stefan; Proschak, Ewgenij; Merk, Daniel published the artcile< Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics>, Electric Literature of 2905-54-6, the main research area is oxaprozin analog RXR agonist pharmacokinetic SAR.

The retinoid X receptors (RXR) are ligand-activated transcription factors involved in multiple regulatory networks as universal heterodimer partners for nuclear receptors. Despite their high therapeutic potential in many pathologies, targeting of RXR has only been exploited in cancer treatment as the currently available RXR agonists suffer from exceptional lipophilicity, poor pharmacokinetics (PK), and adverse effects. Aiming to overcome the limitations and to provide improved RXR ligands, we developed a new potent RXR ligand chemotype based on the nonsteroidal anti-inflammatory drug oxaprozin. Systematic structure-activity relationship anal. enabled structural optimization toward low nanomolar potency similar to the well-established rexinoids. Cocrystal structures of the most active derivatives demonstrated orthosteric binding, and in vivo profiling revealed superior PK properties compared to current RXR agonists. The optimized compounds were highly selective for RXR activation and induced RXR-regulated gene expression in native cellular and in vivo settings suggesting them as excellent chem. tools to further explore the therapeutic potential of RXR.

Journal of Medicinal Chemistry published new progress about Crystal structure. 2905-54-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6Cl2O2, Electric Literature of 2905-54-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Barn, David R.; Morphy, J. Richard published the artcile< Solid-Phase Synthesis of Cyclic Imides>, SDS of cas: 118-45-6, the main research area is imide cyclic combinatorial library solid phase synthesis; phthalimidoethylisoquinoline analog combinatorial library solid phase synthesis; isoquinoline phthalimidoethyl analog preparation.

A cyclative cleavage strategy for the synthesis of cyclic imides on a polystyrene resin is described. After optimization of the cleavage conditions, a small array of succinimides and phthalimides was synthesized. The methodol. was then applied to a drug discovery project, in which it was used to synthesize a new class of δ-opioid receptor ligands, analogs of the isoquinoline I, by both automated and manual methods.

Journal of Combinatorial Chemistry published new progress about Combinatorial library. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, SDS of cas: 118-45-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Kumar, Balagani Sathish; Negi, Arvind S. published the artcile< A frank synthesis of alkyl-aryl ethers from 2-halobenzaldehydes and aromatic olefins without transition metal co-catalyst and ligand>, COA of Formula: C8H7ClO2, the main research area is alkyl aryl ether preparation halobenzaldehyde aromatic olefin.

An efficient synthesis of alkyl ethers was developed for o-deactivated aryl halides and 1-halotetralenes. The method shows good regioselectivity towards ortho substituted halides. Alkali metal carbonates (Li2CO3/Na2CO3/K2CO3/Cs2CO3) were used without a transition metal co-catalyst and ligand. The method is simple, straight-forward and proceeds to afford products in good isolated yields. The method holds potential for future applications in organic synthesis.

Tetrahedron Letters published new progress about Alkyl aryl ethers Role: SPN (Synthetic Preparation), PREP (Preparation). 53581-86-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H7ClO2, COA of Formula: C8H7ClO2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Fleming, Fraser F.; Wei, Guoqing; Steward, Omar W. published the artcile< Cyclic Nitriles: Stereodivergent Addition-Alkylation-Cyclization to cis- and trans-Abietanes>, Electric Literature of 16799-05-6, the main research area is stereoselective synthesis abietane diterpene addition alkylation cyclization cyclic nitrile; Friedel Crafts cyclization stereoselective synthesis abietane diterpene.

Diverse cyclic hydroxy nitriles are readily synthesized through sequential 1,2-1,4-Grignard addition-methylations to 3-oxo-1-cyclohexene-1-carbonitrile. Acid-catalyzed intramol. cyclizations of the cyclic hydroxy nitriles reveal fundamental stereoselectivity trends in Friedel-Crafts cyclizations to cis- and trans-abietanes, e.g. I and II. In contrast to previous assumptions, comparative cationic cyclizations with electron-rich and electron-poor aromatic nucleophiles exhibit similar preferences for cyclization to cis-abietanes. Optimizing the cyclizations for trans-abietanes has identified ZrCl4 as an exceptional Lewis acid which, for cyclizations of iminolactones, favors trans-abietanes as the only observable diastereomer. The sequential oxonitrile addition-Friedel-Crafts cyclization strategy provides a rapid, stereodivergent synthesis of cis- or trans-abietanes, demonstrates the dramatic influence of ZrCl4 in promoting cationic cyclizations, and in contrast to previous assumptions suggests that the cyclization stereoselectivity is not correlated with the electronic nature of the aromatic nucleus.

Journal of Organic Chemistry published new progress about Abietanes Role: SPN (Synthetic Preparation), PREP (Preparation). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Electric Literature of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Khairnar, Pankaj V.; Su, Yin-Hsiang; Chen, Yung-Chang; Edukondalu, Athukuri; Chen, Yi-Ru; Lin, Wenwei published the artcile< Organophosphane-Catalyzed Direct β-Acylation of 4-Arylidene Pyrazolones and 5-Arylidene Thiazolones with Acyl Chlorides>, Quality Control of 17082-09-6, the main research area is oxoarylidene pyrazolone preparation diastereoselective crystal structure mol; arylidene pyrazolone acyl chloride acylation organophosphane catalyst; oxo arylidene thiazolone preparation diastereoselective crystal structure mol; thiazolone arylidene acyl chloride acylation organophosphane catalyst.

An efficient method for the direct β-acylation of arylidene pyrazolones and thiazolones with acyl chlorides in the presence of a base catalyzed by organophosphanes was reported. A variety of oxoarylidene pyrazolones I [R1 = Me, i-Pr, Ph, etc.; R2 = Ph, 4-MeOC6H4, 4-FC6H4, etc.; R3 = Ph, 4-ClC6H4, 2-thienyl, etc.; R4 = Me, Ph, 2-thienyl, etc.] and oxoarylidene thiazolones II [R5 = Ph, 4-ClC6H4, 2-MeC6H4, etc.] were prepared under metal-free and mild conditions via a tandem phospha-Michael addition/O-acylation/intramol. cyclization/rearrangement sequence. Mechanistic investigations revealed that the reaction was highly stereospecific to provide exclusively cis-isomers and the methodol. could also be scaled up with similar efficacy.

Organic Letters published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Quality Control of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

El Hage, Krystel; Piquemal, Jean-Philip; Hobaika, Zeina; Maroun, Richard G.; Gresh, Nohad published the artcile< Could the ""Janus-like"" properties of the halobenzene CX bond (X=Cl, Br) be leveraged to enhance molecular recognition?>, Application of C6H3ClF2, the main research area is chlorobenzene bromobenzene bond mol recognition; anticooperativity; cooperativity; electron-donating substituents; electron-withdrawing substituents; halobenzyl ring; protein-ligand interactions; quantum chemistry; rational drug design; sigma-hole.

The CX bond in halobenzenes (X = Cl, Br) exhibits a dual character, being electron-deficient along the CX direction, and electron-rich on its flanks. We sought to amplify both features by resorting to electron-withdrawing and electron-donating substituents, resp. This was done by quantum chem. (QC) computations in the recognition sites of three protein targets: farnesyl transferase, coagulation factor Xa, and the HIV-1 integrase. In this context, some substituents, notably fluorine, CF3, and NHCH3, afforded significant overall gains in the binding energies as compared to the parent halobenzene, in the 2-5 kcal/mol range. In fact, we found that some di- and up to tetra-substitutions enabled even larger gains than those they contribute sep. owing to many-body effects. Moreover, desolvation was also found to be a key contributor to the energy balances. As a consequence, some particular substituents, contributing to reduce the halobenzene dipole moment, accordingly reduced solvation: this factor acted in synergy with their enhancement of the intermol. interaction energies along and around the CX bond. We could thus leverage the “”Janus-like”” properties of such a bond and the fact that it can be tuned and possibly amplified by well-chosen substituents. We propose a simple yet rigorous computational strategy resorting to QC to prescreen novel substituted halobenzenes. The QC results on the recognition sites then set benchmarks to validate polarizable mol. mechanics/dynamics approaches used to handle the entirety of the inhibitor-protein complex. © 2014 Wiley Periodicals, Inc.

Journal of Computational Chemistry published new progress about Aryl bromides Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), PROC (Process). 1435-43-4 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H3ClF2, Application of C6H3ClF2.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Nurkenov, O. A.; Nurmaganbetov, Zh. S.; Seilkhanov, T. M.; Fazylov, S. D.; Satpayeva, Zh. B.; Turdybekov, K. M.; Talipov, S. A.; Seydakhmetova, R. B. published the artcile< Synthesis, Structure, and Biological Activity of Cinnamoyl-Containing Cytisine and Anabasine Alkaloids Derivatives>, Synthetic Route of 17082-09-6, the main research area is cytisine cinnamoyl derivative preparation antibacterial antifungal cytotoxic activity; anabasine cinnamoyl derivative preparation antibacterial antifungal activity cytotoxic.

The reactions of the cytisine and anabasine alkaloids with cinnamic acid chloride have been studied, and hydrazinolysis of the resulting N-cinnamoylcytisine and N-cinnamoylanabazine has been carried out. The reaction of cinnamoyl isothiocyanate with alkaloids has afforded the corresponding thiourea derivatives Antimicrobial and cytotoxic activity of cinnamoyl-containing derivatives of these alkaloids has been evaluated.

Russian Journal of General Chemistry published new progress about Alkaloids Role: ADV (Adverse Effect, Including Toxicity), PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 17082-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C9H7ClO, Synthetic Route of 17082-09-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dockendorff, Chris; Aisiku, Omozuanvbo; VerPlank, Lynn; Dilks, James R.; Smith, Daniel A.; Gunnink, Susanna F.; Dowal, Louisa; Negri, Joseph; Palmer, Michelle; MacPherson, Lawrence; Schreiber, Stuart L.; Flaumenhaft, Robert published the artcile< Discovery of 1,3-Diaminobenzenes as Selective Inhibitors of Platelet Activation at the PAR1 Receptor>, Category: chlorides-buliding-blocks, the main research area is preparation of antithrombotic agent platelet activation inhibition PAR1.

A high-throughput screen of the NIH-MLSMR compound collection, along with a series of secondary assays to identify potential targets of hit compounds, previously identified a 1,3-diaminobenzene scaffold that targets protease-activated receptor 1 (PAR1). We now report addnl. structure-activity relationship (SAR) studies that delineate the requirements for activity at PAR1 and identify plasma-stable analogs with nanomolar inhibition of PAR1-mediated platelet activation. Compound 4 was declared as a probe (ML161) with the NIH Mol. Libraries Program. This compound inhibited platelet aggregation induced by a PAR1 peptide agonist or by thrombin but not by several other platelet agonists. Initial studies suggest that ML161 is an allosteric inhibitor of PAR1. These findings may be important for the discovery of antithrombotics with an improved safety profile.

ACS Medicinal Chemistry Letters published new progress about Anticoagulants. 162046-61-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H4ClF3O2, Category: chlorides-buliding-blocks.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics