Tag: 100-200

Converting the 3-quinuclidinone reductase from Agrobacterium tumefaciens into the ethyl 4-chloroacetoacetate reductase by site-directed mutagenesis was written by Liu, Di;Gou, Linbo;Bai, Yajun;Fan, Tai-Ping;Zheng, Xiaohui;Cai, Yujie. And the article was included in Biotechnology and Applied Biochemistry in 2022.Synthetic Route of C6H9ClO3 The following contents are mentioned in the article:

In this study, the 3-quinuclidinone reductase from Agrobacterium tumefaciens (AtQR) was modified by site-directed mutagenesis. And we further obtained a saturation mutant library in which the residue 197 was mutated. A single-point mutation converted the wild enzyme that originally had no catalytic activity in reduction of Et 4-chloroacetoacetate (COBE) into an enzyme with catalytic activity. The results of enzyme activity assays showed that the seven variants could asym. reduce COBE to Et (S)-4-chloro-3-hydroxybutyrate ((S)-CHBE) with NADH as coenzyme. In the library, the variant E197N showed higher catalytic efficiency than others. The E197N was optimally active at pH 6.0 and 40°C, and the catalytic efficiency (k_cat/K_m) for COBE was 51.36 s^-1·mM^-1. This study showed that the substrate specificity of AtQR could be changed through site-directed mutagenesis at the residue 197. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Synthetic Route of C6H9ClO3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Synthetic Route of C6H9ClO3

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

Sequential condensation/biannulation reactions of β-(2-aminophenyl)-α,β-ynones with 1,3-dicarbonyls was written by Marsicano, Vincenzo;Arcadi, Antonio;Chiarini, Marco;Fabrizi, Giancarlo;Goggiamani, Antonella;Iazzetti, Antonia. And the article was included in Organic & Biomolecular Chemistry in 2021.Reference of 638-07-3 The following contents are mentioned in the article:

A divergent domino condensation/biannulation reaction of β-(2-aminophenyl) α,β-ynones with 1,3-dicarbonyls to construct a polycyclic 4H-pyrano[3,4-c]quinoline core was developed. The p-TsOH·H₂O catalyzed reaction of β-(2-aminophenyl) α,β-ynones with β-ketoesters in ethanol proceeded with good to excellent yields to provide a simple and effective method for the synthesis of functionalized 4H-pyrano[3,4-c]quinolinones. Further elaboration of these latter derivatives with an excess of 20% NH₄OH in EtOH at 50°C helped to achieve the synthesis of the perlodinine analogs benzo[c][2,7]naphthyridin-4(3H)-one derivatives in high yields. Moreover, the p-TsOH·H₂O mediated reaction of β-(2-aminophenyl) α,β-ynones with β-di-ketones led to the formation of a variety of structurally diverse 4H-pyrano[3,4-c]quinoline polycyclic ketals by the incorporation of an alc. solvent mol. in a cascade fashion. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Reference of 638-07-3).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Reference of 638-07-3

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

Insight into the Folding and Cooperative Multi-Recognition Mechanism in Supramolecular Anion-Binding Catalysis was written by Piekarski, Dariusz G.;Steinforth, Pascal;Gomez-Martinez, Melania;Bamberger, Julia;Ostler, Florian;Schoenhoff, Monika;Garcia Mancheno, Olga. And the article was included in Chemistry – A European Journal in 2020.Formula: C4H12ClN The following contents are mentioned in the article:

H-bond donor catalysts able to modulate the reactivity of ionic substrates for asym. reactions have gained great attention in the past years, leading to the development of cooperative multidentate H-bonding supramol. structures. However, there is still a lack of understanding of the forces driving the ion recognition and catalytic performance of these systems. Herein, insight into the cooperativity nature, anion binding strength, and folding mechanism of a model chiral triazole catalyst is presented. Our combined exptl. and computational study revealed that multi-interaction catalysts exhibiting weak binding energies (≈3-4 kcal mol^-1) can effectively recognize ionic substrates and induce chirality, while strong dependencies on the temperature and solvent were quantified. These results are key for the future design of catalysts with optimal anion binding strength and catalytic activity in target reactions. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Formula: C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Formula: C4H12ClN

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

An Activatable Polymeric Reporter for Near-Infrared Fluorescent and Photoacoustic Imaging of Invasive Cancer was written by Li, Qing;Li, Shenhua;He, Shasha;Chen, Wan;Cheng, Penghui;Zhang, Yan;Miao, Qingqing;Pu, Kanyi. And the article was included in Angewandte Chemie, International Edition in 2020.Recommanded Product: 95-88-5 The following contents are mentioned in the article:

Discriminative detection of invasive and noninvasive breast cancers is crucial for their effective treatment and prognosis. However, activatable probes able to do so in vivo are rare. Herein, we report an activatable polymeric reporter (P-Dex) that specifically turns on near-IR (NIR) fluorescent and photoacoustic (PA) signals in response to the urokinase-type plasminogen activator (uPA) overexpressed in invasive breast cancer. P-Dex has a renal-clearable dextran backbone that is linked with a NIR dye caged with an uPA-cleavable peptide substrate. Such a mol. design allows P-Dex to passively target tumors, activate NIR fluorescence and PA signals to effectively distinguish invasive MDA-MB-231 breast cancer from noninvasive MCF-7 breast cancer, and ultimately undergo renal clearance to minimize the toxicity potential. Thus, this polymeric reporter holds great promise for the early detection of malignant breast cancer. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Recommanded Product: 95-88-5

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

A FRET chemosensor for hypochlorite with large Stokes shifts and long-lifetime emissions was written by Liu, Zhiwei;Song, Fengling;Song, Bo;Jiao, Long;An, Jing;Yuan, Jingli;Peng, Xiaojun. And the article was included in Sensors and Actuators, B: Chemical in 2018.Recommanded Product: 95-88-5 The following contents are mentioned in the article:

A FRET-based chemosensor for hypochlorite was developed, both the donor and acceptor of this FRET system are fluorophores with a large Stokes shift. The donor has two comparable excitation peaks at 460 nm and 575 nm. And it is found FRET-sensitized emission has less interference from direct-excited acceptor emission when excitation at 460 nm compared with excitation at 575 nm. The sensitivity can be improved for 4-fold (<95 nM). Meanwhile the donor can be excited by two-photon excitation source, which is an anti-Stokes shift property. It makes the chemosensor totally to get rid of the direct-excited acceptor emission for the FRET sensing method. Furthermore, the long lifetime luminescence of the FRET pairs makes them possible to be used in time-resolved technol., this can overcome the autofluorescence interference from biol. matrix. All above characters implied this FRET pairs have more potential to be applied in hypochlorite detection of biol. samples. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Recommanded Product: 95-88-5

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

Exfoliation of Al-residual multilayer MXene using tetramethylammonium bases for conductive film applications was written by Saita, Emi;Iwata, Masaki;Shibata, Yuki;Matsunaga, Yuki;Suizu, Rie;Awaga, Kunio;Hirotani, Jun;Omachi, Haruka. And the article was included in Frontiers in Chemistry (Lausanne, Switzerland) in 2022.Synthetic Route of C4H12ClN The following contents are mentioned in the article:

This study describes the concise exfoliation of multilayer Ti₃C₂T_x MXene containing residual aluminum atoms. Treatment with tetramethylammonium base in a co-solvent of THF and H₂O produced single-layer Ti₃C₂T_x, which was confirmed via at. force microscopy observations, with an elec. conductivity 100+ times that of Ti₃C₂T_x prepared under previously reported conditions. The SEM and X-ray diffraction measurements showed that the exfoliated single-layer Ti₃C₂T_x MXenes were reconstructed to assembled large-domain layered films, enabling excellent macroscale elec. conductivity XPS confirmed the complete removal of residual Al atoms and the replacement of surface fluorine atoms with hydroxy groups. Using the exfoliated dispersion, a flexible transparent conductive film was formed and demonstrated in an elec. application. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Synthetic Route of C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Synthetic Route of C4H12ClN

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

The amylase inhibitor montbretin A reveals a new glycosidase inhibition motif was written by Williams, Leslie K.;Zhang, Xiaohua;Caner, Sami;Tysoe, Christina;Nguyen, Nham T.;Wicki, Jacqueline;Williams, David E.;Coleman, John;McNeill, John H.;Yuen, Violet;Andersen, Raymond J.;Withers, Stephen G.;Brayer, Gary D.. And the article was included in Nature Chemical Biology in 2015.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The complex plant flavonol glycoside montbretin A (MbA) is a potent (K_i = 8 nM) and specific inhibitor of human pancreatic α-amylase (HPA) with potential as a therapeutic for diabetes and obesity. Controlled degradation studies on montbretin A, coupled with inhibition analyses, identified an essential high-affinity core structure comprising the myricetin and caffeic acid moieties linked via a disaccharide. X-ray structural analyses of the montbretin A complex with human α-amylase confirmed the importance of this core structure and revealed a novel mode of glycosidase inhibition, wherein internal π-stacking interactions between the myricetin and caffeic acid moieties organize their ring hydroxyls for optimal hydrogen bonding to the α-amylase catalytic residues D197 and E233. This novel inhibitory motif can be reproduced in a greatly simplified analog, offering potential for new strategies for glycosidase inhibition and therapeutic development. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Category: chlorides-buliding-blocks).

1-Bromo-6-chlorohexane (cas: 6294-17-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Category: chlorides-buliding-blocks

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

Monte carlo simulations and experiments of all-silica zeolite LTA assembly combining structure directing agents that match cage sizes was written by Bores, Cecilia;Luo, Song;David Lonergan, J.;Richardson, Eden;Engstrom, Alexander;Fan, Wei;Auerbach, Scott M.. And the article was included in Physical Chemistry Chemical Physics in 2022.Formula: C4H12ClN The following contents are mentioned in the article:

The effect is investigated of organic structure-directing agents (OSDAs) on the formation rates of all-silica zeolite LTA using both simulations and experiments, to shed light on the crystallization process. Syntheses are compared using one OSDA with a diameter close to the size of the large cavity in LTA and two OSDAs of diameters matching the sizes of both the small and large LTA cavities. Reaction-ensemble Monte Carlo (RxMC) simulations predict a speed up of LTA formation using two OSDAs matching the LTA pore sizes; this qual. result is confirmed by exptl. studies of crystallization kinetics, which find a speedup in all-silica LTA crystallization of a factor of 3. Analyses of simulated rings and their Si-O-Si angular energies during RxMC crystallizations show that all ring sizes in the faster crystallization exhibit lower angular energies, on average, than in the slower crystallization, explaining the origin of the speedup through packing effects. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0Formula: C4H12ClN).

Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Formula: C4H12ClN

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

Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software was written by Lin, Yingfu;Zhang, Zirong;Mahjour, Babak;Wang, Di;Zhang, Rui;Shim, Eunjae;McGrath, Andrew;Shen, Yuning;Brugger, Nadia;Turnbull, Rachel;Trice, Sarah;Jasty, Shashi;Cernak, Tim. And the article was included in Nature Communications in 2021.Category: chlorides-buliding-blocks The following contents are mentioned in the article:

The global disruption caused by the 2020 coronavirus pandemic stressed the supply chain of many products, including pharmaceuticals. Multiple drug repurposing studies for COVID-19 are now underway. If a winning therapeutic emerges, it is unlikely that the existing inventory of the medicine, or even the chem. raw materials needed to synthesize it, will be available in the quantities required. Here, we utilize retrosynthetic software to arrive at alternate chem. supply chains for the antiviral drug umifenovir, as well as eleven other antiviral and anti-inflammatory drugs. We have exptl. validated four routes to umifenovir and one route to bromhexine. In one route to umifenovir the software invokes conversion of six C-H bonds into C-C bonds or functional groups. The strategy we apply of excluding known starting materials from search results can be used to identify distinct starting materials, for instance to relieve stress on existing supply chains. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Category: chlorides-buliding-blocks).

Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Category: chlorides-buliding-blocks

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

Synthesis of Hantzsch adducts as cholinesterases and calcium flux inhibitors, antioxidants and neuroprotectives was written by Angona, Irene Pachon;Martin, Helene;Daniel, Solene;Moraleda, Ignacio;Bonet, Alexandre;Wnorowski, Artur;Maj, Maciej;Jozwiak, Krzysztof;Iriepa, Isabel;Refouvelet, Bernard;Marco-Contelles, Jose;Ismaili, Lhassane. And the article was included in International Journal of Molecular Sciences in 2020.Computed Properties of C6H12BrCl The following contents are mentioned in the article:

We report herein the design, synthesis, biol. evaluation, and mol. modeling of new inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE), able to block Ca+2 channels also showing antioxidant and neuroprotective activities. The new MTDL, dialkyl 2,6-dimethyl-4-(4-((5-aminoalkyl)oxy)phenyl)-1,4-dihydropyridine-3,5-dicarboxylate 3a-p, have been obtained via Hantzsch reaction from appropriate and com. available precursors. Pertinent biol. anal. has prompted us to identify MTDL 3h [dimethyl-4-(4-((5-(4-benzylpiperidin-1-yl)pentyl)oxy)phenyl)-2,6-dimethyl-1,4-dihydropyridine3,5-dicarboxylate] as an attractive inhibitor of AChE (1.8μM) and BuChE (2μM), Ca+2 channel antagonist (47.72% at 10μM), and antioxidant (2.54 TE) agent, showing significant neuroprotection 28.68% and 38.29% against H2O2, and O/R, resp., at 0.3μM, thus being considered a hit-compound for further investigation in our search for anti-Alzheimer’s disease agents. This study involved multiple reactions and reactants, such as 1-Bromo-6-chlorohexane (cas: 6294-17-3Computed Properties of C6H12BrCl).

1-Bromo-6-chlorohexane (cas: 6294-17-3) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Computed Properties of C6H12BrCl

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