Month: October 2022

Khajehzadeh, Mostafa; Moghadam, Majid; Jamehbozorgi, Saeed published the artcile< Synthesis and characterization of a new poly(N-heterocyclic carbene Cu complex) immobilized on nano-silica, (CuII-NHCs)n@nSiO2, and its application as an efficient and reusable catalyst in the synthesis of benzimidazoles, benzothiazoles, 1,2,3-triazoles, bis-triazoles and Sonogashira-Hagihara reactions>, COA of Formula: C7H6Cl2, the main research area is benzimidazole benzothiazole triazole preparation; aryl benzyl halide aldehyde acetylene Sonogashira Hagihara reaction; poly heterocyclic carbene copper complex catalyst preparation.

The present study describes the synthesis and characterization of a new poly(N-heterocyclic carbene Cu complex) immobilized on nano silica, (CuII-NHCs)n@nSiO2. The (CuII-NHCs)n@nSiO2 dendritic polymer was characterized by FT-IR, TGA, UV-vis, FE-SEM, TEM and ICP-OES techniques. The catalytic activity of this new catalyst was studied in the synthesis of benzimidazoles I (Ar = 2-MeC6H4, 3-BrC6H4, 4-ClC6H4, etc.), benzothiazoles II, 1,2,3-triazoles III (R1 = H, 2-Br, 4-Cl, etc.), bis-triazoles and Sonogashira-Hagihara cross-coupling reactions. The (CuII-NHCs)n@nSiO2 heterogeneous catalyst showed the advantages such as high efficiency, good to excellent yield, short reaction times, easy separation and high reusability of the catalyst.

Inorganica Chimica Acta published new progress about Alkynes, aryl Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 611-19-8 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.

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

Kawamata, Yu; Hayashi, Kyohei; Carlson, Ethan; Shaji, Shobin; Waldmann, Dirk; Simmons, Bryan J.; Edwards, Jacob T.; Zapf, Christoph W.; Saito, Masato; Baran, Phil S. published the artcile< Chemoselective Electrosynthesis Using Rapid Alternating Polarity>, Related Products of 118-45-6, the main research area is electrochem chemoselective reduction ketone rapid alternating polarity.

Challenges in the selective manipulation of functional groups (chemoselectivity) in organic synthesis have historically been overcome either by using reagents/catalysts that tunably interact with a substrate or through modification to shield undesired sites of reactivity (protecting groups). Although electrochem. offers precise redox control to achieve unique chemoselectivity, this approach often becomes challenging in the presence of multiple redox-active functionalities. Historically, electrosynthesis has been performed almost solely by using d.c. (DC). In contrast, applying a.c. (AC) has been known to change reaction outcomes considerably on an anal. scale but has rarely been strategically exploited for use in complex preparative organic synthesis. Here we show how a square waveform employed to deliver elec. current-rapid alternating polarity (rAP)-enables control over reaction outcomes in the chemoselective reduction of carbonyl compounds, one of the most widely used reaction manifolds. The reactivity observed cannot be recapitulated using DC electrolysis or chem. reagents. The synthetic value brought by this new method for controlling chemoselectivity is vividly demonstrated in the context of classical reactivity problems such as chiral auxiliary removal and cutting-edge medicinal chem. topics such as the synthesis of PROTACs.

Journal of the American Chemical Society published new progress about Carbonyl group. 118-45-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H3ClO3, Related Products of 118-45-6.

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

Bellotti, Peter; Koy, Maximilian; Gutheil, Christian; Heuvel, Steffen; Glorius, Frank published the artcile< Three-component three-bond forming cascade via palladium photoredox catalysis>, Quality Control of 22952-32-5, the main research area is carbocycle heterocycle preparation; bromide diene nucleophile bond forming cascade palladium photoredox catalysis.

A highly modular radical cascade strategy based upon radical cyclization/allylic substitution sequence between alkyl/aryl bromides, 1,3-dienes and nucleophiles ranging from sulfinates to amines, phenols and 1,3-dicarbonyls was described. Palladium phosphine complexes – which merge properties of photo- and cross coupling-catalysts – allowed to forge three bonds with complete 1,4-selectivity and stereocontrol, delivering highly value added carbocyclic and heterocyclic motifs that could feature – inter alia – vicinal quaternary centers, free protic groups, gem-difluoro motifs and strained rings. Furthermore, a flow chem. approach was for the first time applied in palladium-photocatalyzed endeavors involving radicals.

Chemical Science published new progress about 1,3-Alkadienes Role: RCT (Reactant), RACT (Reactant or Reagent). 22952-32-5 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H6Cl2O3S, Quality Control of 22952-32-5.

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

Tilekar, Kalpana; Hess, Jessica D.; Upadhyay, Neha; Schweipert, Markus; Flath, Felix; Gutierrez, Denisse A.; Loiodice, Fulvio; Lavecchia, Antonio; Meyer-Almes, Franz-Josef; Aguilera, Renato J.; Ramaa, C. S. published the artcile< HDAC4 Inhibitors with Cyclic Linker and Non-hydroxamate Zinc Binding Group: Design, Synthesis, HDAC Screening and in vitro Cytotoxicity evaluation.>, Application of C7H8ClN, the main research area is HDAC inhibitor screening cytotoxicity cyclic linker nonhydroxamate zinc binding.

Recent evidences highlight the usefulness of small mol. (Histone deacetylase 4) HDAC4 inhibitors in the several preclin. paradigms. Major toxicity and mutagenicity issues associated with hydroxamate HDAC inhibitors, stimulated us to develop potent non-hydroxamate inhibitors. In the present work a novel series of thiazolidinedione (TZD) derivatives with pyridine as cyclic linker and TZD ring as zinc binding group was designed and screened in a panel of isoenzymes of HDACs, wherein the most potent compounds exhibiting HDAC4 IC50-values<5 μM were 5 v, 5 w, 5 y and 5 z (IC50=4.2±1 μM, 0.75±0.03 μM, 4.9±0.5 and 2.3±0.5 μM, resp.). The docking studies displayed the unique binding mode of this series of compound at active site of HDAC4, wherein TZD ring was indicated as zinc binding group. Further, 5 w and 5 y were found as the most potent antiproliferative agent in lymphoblastic leukemia (CCRF-CEM) and breast cancer MDA-MB-231 cells. Compound 5 y was found to induce the apoptosis and DNA fragmentation of CEM cells. The western blotting anal. of 5 y also showed the presence of cleaved caspases supporting their apoptotic nature. Further, Class IIa (HDAC4) selectivity of 5 y was also supported by western blotting observations, wherein 5 y caused the accumulation of acetylated H3 but not of acetylated Tubulin. Thus, our findings endorse the further investigation of this series of compounds for their potential as targeted cancer therapeutic agents. ChemistrySelect published new progress about Acetylated histone H3 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 29027-20-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H8ClN, Application of C7H8ClN.

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

Galley, Guido; Beurier, Angelica; Decoret, Guillaume; Goergler, Annick; Hutter, Roman; Mohr, Susanne; Pahler, Axel; Schmid, Philipp; Turck, Dietrich; Unger, Robert; Zbinden, Katrin Groebke; Hoener, Marius C.; Norcross, Roger D. published the artcile< Discovery and Characterization of 2-Aminooxazolines as Highly Potent, Selective, and Orally Active TAAR1 Agonists>, Application of C8H8BrCl, the main research area is aminooxazoline TAAR agonist; 2-aminooxazoline; SAR; TAAR1 agonist; schizophrenia.

2-Aminooxazolines were discovered as a novel structural class of TAAR1 ligands. Starting from a known adrenergic compound, structural modifications were made to obtain highly potent and selective TAAR1 ligands such as (I) (RO5166017), (II) (RO5256390), RO5203648, and RO5263397. These compounds exhibit drug-like physicochem. properties, have good oral bioavailability, and display in vivo activity in a variety of animal models relevant for psychiatric diseases and addiction.

ACS Medicinal Chemistry Letters published new progress about Antipsychotics. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Application of C8H8BrCl.

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

Misik, Miroslav; Pichler, Clemens; Rainer, Bernhard; Filipic, Metka; Nersesyan, Armen; Knasmueller, Siegfried published the artcile< Acute toxic and genotoxic activities of widely used cytostatic drugs in higher plants: Possible impact on the environment>, Reference of 6055-19-2, the main research area is Tradescantia Allium genotoxicity cytotoxicity; Allium; Cytostatics; EC(50); Micronuclei; Tradescantia.

Cytostatic drugs are highly toxic pharmaceuticals and it was repeatedly postulated that they may cause adverse effects in ecosystems. The acute toxic and genotoxic properties of these drugs have not been adequately investigated in higher plants so far; therefore, we studied the most widely used drugs (5-flurouracil, 5FU; etoposide, Et; cisplatin, CisPt; carboplatin, CaPt; vincristine sulfate, VinS and cyclophosphamide monohydrate, CP) in micronucleus (MN) assays with meiotic pollen tetrad cells of Tradescantia and with root cells from Allium cepa. MNi are formed as a consequence of chromosome breaks and aneuploidy. We monitored also the acute toxic properties of the drugs, i.e. inhibition of cell division (mitotic indexes and retardation of root growth) in the latter species. All compounds caused in both indicator plants genotoxic effects. The order of genotoxic potencies expressed as NOELs in μM was CisPt (0.1)≥Et (0.5)>CP (1.0)>CaPt (10)>5FU (30)>VinS (100) in Tradescantia. A similar order was seen in Allium MN but Et was less active (5.0 μM). Four compounds caused alterations of the mitotic indexes under the present conditions namely CisPt (0.5), Et (10.0), 5FU (10.0) and VinS (100). Inhibition of root growth decreased in the order CisPt (0.5)>Et (1.0)≥VinS (1.0)>5FU (5.0)>CaPt (33.0)>CP (>1000). Comparisons of the NOELs with the predicted environmental concentrations (PEC) show that the latter values are at least 5 orders of magnitude lower and indicate that it is unlikely that their release in the environment may cause adverse effects in higher plants. However, it is notable that the levels of both platinum compounds and of 5FU in hospital effluents may reach levels which may induce damage of the genetic material.

Environmental Research published new progress about Acute toxicity. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Reference of 6055-19-2.

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

Wiesner, Jochen; Ziemann, Christina; Hintz, Martin; Reichenberg, Armin; Ortmann, Regina; Schlitzer, Martin; Fuhst, Rainer; Timmesfeld, Nina; Vilcinskas, Andreas; Jomaa, Hassan published the artcile< FR-900098, an antimalarial development candidate that inhibits the non-mevalonate isoprenoid biosynthesis pathway, shows no evidence of acute toxicity and genotoxicity>, COA of Formula: C7H17Cl2N2O3P, the main research area is toxicol antimalarial drug; Ames test; FR-900098; Plasmodium falciparum; acute toxicity; drug development; fosmidomycin; genotoxicity; malaria; micronucleus test; mouse lymphoma assay.

FR-900098 is an inhibitor of 1-deoxy-D-xylulose-5-phosphate (DXP) reductoisomerase, the second enzyme in the non-mevalonate isoprenoid biosynthesis pathway. In previous studies, FR-900098 was shown to possess potent antimalarial activity in vitro and in a murine malaria model. In order to provide a basis for further preclin. and clin. development, we studied the acute toxicity and genotoxicity of FR-900098. We observed no acute toxicity in rats, i.e. there were no clin. signs of toxicity and no substance-related deaths after the administration of a single dose of 3000 mg/kg body weight orally or 400 mg/kg body weight i.v. No mutagenic potential was detected in the Salmonella typhimurium reverse mutation assay (Ames test) or an in vitro mammalian cell gene mutation test using mouse lymphoma L5178Y/TK+/- cells (clone 3.7.2C), both with and without metabolic activation. In addition, FR-900098 demonstrated no clastogenic or aneugenic capability or significant adverse effects on blood formation in an in vivo micronucleus test with bone marrow erythrocytes from NMRI mice. We conclude that FR-900098 lacks acute toxicity and genotoxicity, supporting its further development as an antimalarial drug.

Virulence published new progress about Antimalarials. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, COA of Formula: C7H17Cl2N2O3P.

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

Longwitz, Lars; Jopp, Stefan; Werner, Thomas published the artcile< Organocatalytic Chlorination of Alcohols by P(III)/P(V) Redox Cycling>, Formula: C6H7ClS, the main research area is alkyl chloride preparation organocatalyst alc chlorination.

A catalytic system for the chlorination of alcs. under Appel conditions was developed. Benzotrichloride was used as a cheap and readily available chlorinating agent in combination with trioctylphosphine as the catalyst and phenylsilane as the terminal reductant. The reaction has several advantages over other variants of the Appel reaction, e.g., no addnl. solvent is required and the phosphine reagent was used only in catalytic amounts In total, 27 different primary, secondary, and tertiary alkyl chlorides were synthesized in yields up to 95%. Under optimized conditions, it was also possible to convert epoxides and an oxetane to the dichlorinated products.

Journal of Organic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 19995-38-1 belongs to class chlorides-buliding-blocks, and the molecular formula is C6H7ClS, Formula: C6H7ClS.

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

Spillane, William J.; Coyle, Catherine M.; Feeney, Brendan G.; Thompson, Emer F. published the artcile< Development of Structure-Taste Relationships for Thiazolyl-, Benzothiazolyl-, and Thiadiazolylsulfamates>, Electric Literature of 70057-67-9, the main research area is heterocyclic sulfamate taste MSBAR.

A total of 28 new five-membered aromatic ring thiazolyl-, benzothiazolyl-, and thiadiazolylsulfamates, as their sodium salts, have been synthesized and combined with 30 known similar heterocyclic sulfamates to create a database for the study of structure-activity (taste) relationships (SARs) in this heterocyclic subgroup, which is known to contain a somewhat disproportionate number of sweet compounds compared to other groups of tastants. A series of nine parameters (descriptors) to describe the properties of the sulfamate anions were calculated in Spartan Pro and HyperChem programs. These are the HOMO, LUMO, length of the mol., dipole moment, area, volume, Esolv, σ (from the literature), and log P. The taste data for all 58 compounds were categorized into three classes, namely, sweet (S), nonsweet (N), and nonsweet/sweet (N/S). Discriminant anal. only classified 44 of the 58 compounds correctly. Classification and regression tree anal. (CART) using the S_ Plus program proved highly effective, in that the derived tree correctly classified 46 compounds from a training set of 48 and, from a computer randomly selected test set of 10 compounds, 7 had their taste correctly predicted. A second tree was grown using the addnl. taste category N/S, and this tree also performed extremely well, with 8 of the 10 compounds in the test set correctly classified. These trees should be very reliable for predicting the tastes of other heterocyclic sulfamates, which belong to the subset used here.

Journal of Agricultural and Food Chemistry published new progress about Discriminant analysis. 70057-67-9 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H6ClN3S, Electric Literature of 70057-67-9.

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

Andersson, M.; Aronsson, P.; Giglio, D.; Wilhelmson, A.; Jerabek, P.; Tobin, G. published the artcile< Pharmacological modulation of the micturition pattern in normal and cyclophosphamide pre-treated conscious rats>, Reference of 6055-19-2, the main research area is micturition nitric oxide muscarinic receptor cyclophosphamide monohydrate.

In the current study, we wanted to assess the influence of muscarinic receptors, nitric oxide and purinoceptors on the micturition pattern of conscious normal and cyclophosphamide (CYP) pre-treated rats. The micturition parameters were assessed using a metabolic cage. Rats were pre-treated with either saline or CYP, to induce cystitis, followed by treatment with either the muscarinic M1/M3/M5 receptor antagonist 4-diphenylacetoxy-N-methylpiperidine (4-DAMP), the nitric oxide synthase blocker Nω-nitro-L-arginine Me (L-NAME), the P2 purinoceptor antagonist pyridoxalphosphate-6-azophenyl-2′,4′-disulfonic acid (PPADS) or a combination of 4-DAMP with PPADS or L-NAME. Voiding volumes per micturition event were significantly lower in CYP pre-treated than in saline pre-treated rats. Neither 4-DAMP nor L-NAME had any effect in the normal rats, whereas PPADS reduced the micturition volume per event. In CYP pre-treated rats, 4-DAMP and L-NAME significantly increased voiding volumes per event and micturition frequency, resp. 4-DAMP dose-dependently reduced the differences in micturition activity between saline and CYP pre-treated rats. We show that cystitis changes the urodynamics in conscious rats and that this change seems to depend on the production of NO and on altered muscarinic receptor effects. The altered muscarinic receptor responses are likely to per se involve NO-mediated mechanisms.

Autonomic Neuroscience published new progress about Bladder. 6055-19-2 belongs to class chlorides-buliding-blocks, and the molecular formula is C7H17Cl2N2O3P, Reference of 6055-19-2.

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