400-500 Archives - Chlorides-buliding-blocks

Casanova, Elena et al. published their research in ChemMedChem in 2013 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Category: chlorides-buliding-blocks

5′-Trityl-Substituted Thymidine Derivatives as a Novel Class of Antileishmanial Agents: Leishmania infantum EndoG as a Potential Target was written by Casanova, Elena;Moreno, David;Gigante, Alba;Rico, Eva;Genes, Carlos Mario;Oliva, Cristina;Camarasa, Maria-Jose;Gago, Federico;Jimenez-Ruiz, Antonio;Perez-Perez, Maria-Jesus. And the article was included in ChemMedChem in 2013.Category: chlorides-buliding-blocks This article mentions the following:

Two series of 5′-triphenylmethyl (trityl)-substituted thymidine derivatives were synthesized and tested against Leishmania infantum axenic promastigotes and amastigotes. Several of these compounds show significant antileishmanial activity, with IC₅₀ values in the low micromolar range. Among these, 3′-O-(isoleucylisoleucyl)-5′-O-(3,3,3-triphenylpropanoyl)thymidine displays particularly good activity against intracellular amastigotes. Assays performed to characterize the nature of parasite cell death in the presence of the tritylthymidines indicated significant alterations in mitochondrial transmembrane potential, an increase in superoxide concentrations, and also significant decreases in DNA degradation during the cell death process. Results point to the mitochondrial nuclease LiEndoG as a target for the action of this family of compounds In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Category: chlorides-buliding-blocks).

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

De Bo, Guillaume et al. published their research in Journal of the American Chemical Society in 2017 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Reference of 2168-06-1

[2]Rotaxane Formation by Transition State Stabilization was written by De Bo, Guillaume;Dolphijn, Guillaume;McTernan, Charlie T.;Leigh, David A.. And the article was included in Journal of the American Chemical Society in 2017.Reference of 2168-06-1 This article mentions the following:

We report on the synthesis of [2]rotaxanes driven by stabilization of the axle-forming transition state. A bifunctional macrocycle, with hydrogen bond donors at one end and acceptors at the other, is used to stabilize the charges that develop during the addition of a primary amine to a cyclic sulfate. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Reference of 2168-06-1).

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

Tamilvanan, Thangaraju et al. published their research in Combinatorial Chemistry & High Throughput Screening in 2014 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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.Category: chlorides-buliding-blocks

Biologically Active Ligands for Yersinia Outer Protein H (YopH): Feature Based Pharmacophore Screening, Docking and Molecular Dynamics Studies was written by Tamilvanan, Thangaraju;Hopper, Waheeta. And the article was included in Combinatorial Chemistry & High Throughput Screening in 2014.Category: chlorides-buliding-blocks This article mentions the following:

Yersinia pestis, a Gram neg. bacillus, spreads via lymphatic to lymph nodes and to all organs through the bloodstream, causing plague. Yersinia outer protein H (YopH) is one of the important effector proteins, which paralyzes lymphocytes and macrophages by dephosphorylating critical tyrosine kinases and signal transduction mols. The purpose of the study is to generate a three-dimensional (3D) pharmacophore model by using diverse sets of YopH inhibitors, which would be useful for designing of potential antitoxin. In this study, we have selected 60 biol. active inhibitors of YopH to perform Ligand based pharmacophore study to elucidate the important structural features responsible for biol. activity. Pharmacophore model demonstrated the importance of two acceptors, one hydrophobic and two aromatic features toward the biol. activity. Based on these features, different databases were screened to identify novel compounds and these ligands were subjected for docking, ADME properties and Binding energy prediction. Post docking validation was performed using mol. dynamics simulation for selected ligands to calculate the Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF). The ligands, ASN03270114, Mol_252138, Mol_31073 and ZINC04237078 may act as inhibitors against YopH of Y. pestis. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Category: chlorides-buliding-blocks).

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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.Category: chlorides-buliding-blocks

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

Tamilvanan, Thangaraju et al. published their research in Combinatorial Chemistry & High Throughput Screening in 2014 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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.Category: chlorides-buliding-blocks

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

Fukunishi, Yoshifumi et al. published their research in Journal of Computer-Aided Molecular Design in 2006 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Computed Properties of C21H15Cl3O2

A Virtual Active Compound Produced from the Negative Image of a Ligand-binding Pocket, and its Application to in-silico Drug Screening was written by Fukunishi, Yoshifumi;Kubota, Satoru;Kanai, Chisato;Nakamura, Haruki. And the article was included in Journal of Computer-Aided Molecular Design in 2006.Computed Properties of C21H15Cl3O2 This article mentions the following:

The authors developed a new structure-based in-silico screening method using a neg. image of a ligand-binding pocket and a multi-protein-compound interaction matrix. Based on the structure of the ligand pocket of the target protein, the authors designed a neg. image, which consists of virtual atoms whose radii are close to those of carbon atoms. The virtual atoms fit the pocket ideally and achieve an optimal Coulomb interaction. A protein-compound docking program calculates the protein-compound interaction matrix for many proteins and many compounds including the neg. image, which can be treated as a virtual compound With specific attention to a vector of docking scores for a single compound with many proteins, the authors selected a compound whose score vector was similar to that of the neg. image as a candidate hit compound This method was applied to representative target proteins and showed high database enrichment with a relatively quick procedure. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Computed Properties of C21H15Cl3O2).

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

Van Vliet, Michiel C. A. et al. published their research in Liebigs Annalen/Recueil in 1997 | CAS: 18583-55-6

(2-Chlorobenzyl)triphenylphosphonium chloride (cas: 18583-55-6) 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. 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.Electric Literature of C25H21Cl2P

A convenient synthesis of γ,δ-unsaturated N-formyl enamines by Wittig alkenylation of γ,δ-unsaturated diformamides was written by Van Vliet, Michiel C. A.;Meuzelaar, Gerrit J.;Bras, Jerome;Maat, Leendert;Sheldon, Roger A.. And the article was included in Liebigs Annalen/Recueil in 1997.Electric Literature of C25H21Cl2P This article mentions the following:

γ,δ-Unsaturated N-formyl enamines were prepared in 2 steps from readily available γ,δ-unsaturated alcs. The alcs. were converted into the γ,δ-unsaturated diformamides by tosylation, followed by reaction with NaN(CHO)₂. The γ,δ-unsaturated diformamides were applied in a Wittig reaction under mild conditions to give the title compounds with a conjugated enamide group in moderate to high yields. In the experiment, the researchers used many compounds, for example, (2-Chlorobenzyl)triphenylphosphonium chloride (cas: 18583-55-6Electric Literature of C25H21Cl2P).

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

Fukunishi, Yoshifumi et al. published their research in Journal of Chemical Information and Modeling in 2006 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.SDS of cas: 2168-06-1

Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening was written by Fukunishi, Yoshifumi;Kubota, Satoru;Nakamura, Haruki. And the article was included in Journal of Chemical Information and Modeling in 2006.SDS of cas: 2168-06-1 This article mentions the following:

The authors developed a new method to improve the accuracy of mol. interaction data using a mol. interaction matrix. This method was applied to enhance the database enrichment of in silico drug screening and in silico target protein screening using a protein-compound affinity matrix calculated by a protein-compound docking software. Our assumption was that the protein-compound binding free energy of a compound could be improved by a linear combination of its docking scores with many different proteins. The authors proposed two approaches to determine the coefficients of the linear combination. The first approach is based on similarity among the proteins, and the second is a machine-learning approach based on the known active compounds These methods were applied to in silico screening of the active compounds of several target proteins and in silico target protein screening. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1SDS of cas: 2168-06-1).

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

Fielden, Stephen D. P. et al. published their research in Journal of the American Chemical Society in 2018 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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.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.Reference of 2168-06-1

Spontaneous Assembly of Rotaxanes from a Primary Amine, Crown Ether and Electrophile was written by Fielden, Stephen D. P.;Leigh, David A.;McTernan, Charlie T.;Perez-Saavedra, Borja;Vitorica-Yrezabal, Inigo J.. And the article was included in Journal of the American Chemical Society in 2018.Reference of 2168-06-1 This article mentions the following:

We report the synthesis of crown ether-ammonium, amide and amine [2]rotaxanes via transition state stabilization of axle-forming reactions. In contrast to the two-step “clipping” and “capping” strategies generally used for rotaxane synthesis, here the components assemble into the interlocked mol. in a single, reagent-less, step under kinetic control. The crown ether accelerates the reaction of the axle-forming components through the cavity to give the threaded product in a form of metal-free active template synthesis. Rotaxane formation can proceed through the stabilization of different transition states featuring 5-coordinate (e.g., S_N2) or 4-coordinate (e.g., acylation, Michael addition) carbon. Examples prepared using the approach include crown-ether-peptide rotaxanes and switchable mol. shuttles. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Reference of 2168-06-1).

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) 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.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.Reference of 2168-06-1

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

Fukunishi, Yoshifumi et al. published their research in Journal of Chemical Information and Modeling in 2006 | CAS: 2168-06-1

3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Related Products of 2168-06-1

An Efficient in Silico Screening Method Based on the Protein-Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands was written by Fukunishi, Yoshifumi;Hojo, Shinichi;Nakamura, Haruki. And the article was included in Journal of Chemical Information and Modeling in 2006.Related Products of 2168-06-1 This article mentions the following:

A new method has been developed to design a focused library based on available active compounds using protein-compound docking simulations. This method was applied to the design of a focused library for cytochrome P 450 (CYP) ligands, not only to distinguish CYP ligands from other compounds but also to identify the putative ligands for a particular CYP. Principal component anal. (PCA) was applied to the protein-compound affinity matrix, which was obtained by thorough docking calculations between a large set of protein pockets and chem. compounds Each compound was depicted as a point in the PCA space. Compounds that were close to the known active compounds were selected as candidate hit compounds A machine-learning technique optimized the docking scores of the protein-compound affinity matrix to maximize the database enrichment of the known active compounds, providing an optimized focused library. In the experiment, the researchers used many compounds, for example, 3,3,3-Tris(4-chlorophenyl)propionic acid (cas: 2168-06-1Related Products of 2168-06-1).

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

Acheson, Richard M. et al. published their research in Journal of the Chemical Society [Section] C: Organic in 1970 | CAS: 18583-55-6

Synthesis, spectra, and reactions of some S-alkylthiophenium salts was written by Acheson, Richard M.;Harrison, Derek R.. And the article was included in Journal of the Chemical Society [Section] C: Organic in 1970.Reference of 18583-55-6 This article mentions the following:

S-Alkylthiophenium, -benzo[b]thiophenium and -dibenzo[b,d]thiophenium salts were prepared by treatment of the corresponding thiophenes with alkyl halides in the presence of AgBF4 or similar reagents. Their uv spectra resemble those of the corresponding sulfoxides and sulfones, rather than those of the parent thiophene. The NMR spectrum of 3-bromo-1-ethylbenzo[b]thiophenium tetrafluoroborate and those of similar compounds show that the Et groups appear as ABX3 systems, which were computer-simulated. The S-alkyl groups are putatively not coplanar with the S-containing rings. In the mass spectrometer the S-alkyl group is very readily lost, but expansion of the thiophene ring also occurs. The salts are powerful alkylating agents. In the experiment, the researchers used many compounds, for example, (2-Chlorobenzyl)triphenylphosphonium chloride (cas: 18583-55-6Reference of 18583-55-6).

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