Month: October 2022

Reference of Benzylidenebis(tricyclohexylphosphine)dichlororutheniumIn 2020 ,《Cell Engineering with Functional Poly(oxanorbornene) Block Copolymers》 appeared in Angewandte Chemie, International Edition. The author of the article were Church, Derek C.; Pokorski, Jonathan K.. The article conveys some information:

Cell-based therapies are gaining prominence in treating a wide variety of diseases and using synthetic polymers to manipulate these cells provides an opportunity to impart function that could not be achieved using solely genetic means. Herein, we describe the utility of functional block copolymers synthesized by ring-opening metathesis polymerization (ROMP) that can insert directly into the cell membrane via the incorporation of long alkyl chains into a short polymer block leading to non-covalent, hydrophobic interactions with the lipid bilayer. Furthermore, we demonstrate that these polymers can be imbued with advanced functionalities. A photosensitizer was incorporated into these polymers to enable spatially controlled cell death by the localized generation of 1O2 at the cell surface in response to red-light irradiation In a broader context, we believe our polymer insertion strategy could be used as a general methodol. to impart functionality onto cell-surfaces.Benzylidenebis(tricyclohexylphosphine)dichlororuthenium(cas: 172222-30-9Reference of Benzylidenebis(tricyclohexylphosphine)dichlororuthenium) was used in this study.

Benzylidenebis(tricyclohexylphosphine)dichlororuthenium(cas: 172222-30-9) is the first metathesis catalyst to be widely used in organic synthesis. It is useful for acyclic diene metathesis polymerization (ADMET), Ring-Opening Metathesis Polymerization (ROMP) of strained cyclic olefins, ring opening metathesis (ROM), and so on.Reference of Benzylidenebis(tricyclohexylphosphine)dichlororuthenium

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

Application of 7647-14-5In 2020 ,《Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutions》 appeared in Journal of Chemical Physics. The author of the article were Panagiotopoulos, Athanassios Z.. The article conveys some information:

A review. This article reviews recent mol. simulation studies of “”collective”” properties of aqueous electrolyte solutions, specifically free energies and activity coefficients, solubilities, nucleation rates of crystals, and transport coefficients These are important fundamental properties for biol. and geoscience, but also relevant for many technol. applications. Their determination from mol.-scale calculations requires large systems and long sampling times, as well as specialized sampling algorithms. As a result, such properties have not typically been taken into account during optimization of force field parameters; thus, they provide stringent tests for the transferability and range of applicability of proposed mol. models. There was significant progress on simulation algorithms to enable the determination of these properties with good statistical uncertainties. Comparisons of simulation results to exptl. data reveal deficiencies shared by many commonly used models. Moreover, there appear to exist specific tradeoffs within existing modeling frameworks so that good prediction of some properties is linked to poor prediction for specific other properties. For example, non-polarizable models that utilize full charges on the ions generally fail to predict accurately both activity coefficients and solubilities; the concentration dependence of viscosity and diffusivity for these models is also incorrect. Scaled-charge models improve the dynamic properties and could also perform well for solubilities but fail in the prediction of nucleation rates. Even models that do well at room temperature for some properties generally fail to capture their exptl. observed temperature dependence. The main conclusion from the present review is that qual. new physics will need to be incorporated in future models of electrolyte solutions to allow the description of collective properties for broad ranges of concentrations, temperatures, and solvent conditions. (c) 2020 American Institute of Physics. In the experimental materials used by the author, we found Sodium chloride(cas: 7647-14-5Application of 7647-14-5)

Sodium chloride(cas: 7647-14-5) has been used for the preparation of tris buffered saline, phosphate buffered saline, MPM-2 (mitotic protein monoclonal 2) cell lysis buffer, immunoprecipitation wash buffer, LB (Luria-Bertani) media and dialysis buffer.Application of 7647-14-5

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

HPLC of Formula: 7647-14-5In 2021 ,《Capturing the Moment of Emergence of Crystal Nucleus from Disorder》 was published in Journal of the American Chemical Society. The article was written by Nakamuro, Takayuki; Sakakibara, Masaya; Nada, Hiroki; Harano, Koji; Nakamura, Eiichi. The article contains the following contents:

Crystallization is the process of atoms or mols. forming an organized solid via nucleation and growth. Being intrinsically stochastic, the research at an atomistic level was a huge exptl. challenge. In situ detection is reported of a crystal nucleus forming during nucleation/growth of a NaCl nanocrystal, as video recorded in the interior of a vibrating conical C nanotube at 20-40 ms/frame with localization precision of <0.1 nm. NaCl units were seen assembled to form a cluster fluctuating between featureless and semiordered states, which suddenly formed a crystal. Subsequent crystal growth at 298 K and shrinkage at 473 K took place also in a stochastic manner. Productive contributions of the graphitic surface and its mech. vibration were exptl. indicated. In the part of experimental materials, we found many familiar compounds, such as Sodium chloride(cas: 7647-14-5HPLC of Formula: 7647-14-5)

Sodium chloride(cas: 7647-14-5) has been used for the preparation of tris buffered saline, phosphate buffered saline, MPM-2 (mitotic protein monoclonal 2) cell lysis buffer, immunoprecipitation wash buffer, LB (Luria-Bertani) media and dialysis buffer.HPLC of Formula: 7647-14-5

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

《Formation of fumaramic acid from asparagine in phosphate buffer》 was written by Talley, Eugene A.; Fitzpatrick, Thomas J.; Porter, William L.. Electric Literature of C4H5NO3 And the article was included in Journal of the American Chemical Society in 1959. The article conveys some information:

The product obtained by heating asparagine in pH 6.7 buffer (Na2HPO4, KH2PO4) 24 hrs. at 100° and previously regarded to be 4-carboxy-2-azetidinone (C.A. 51, 2715h), has been shown by chem. means, infrared absorption, X-ray powder diagram, and comparison with an authentic sample to be fumaramic acid (I). Absolute MeOH (10.7 g.) in 145 cc. dry C6H6 added dropwise to 51.0 g. fumaryl dichloride with stirring below 30°, kept overnight, and fractionally distilled gave the following fractions: (1) b18 62-71°, (2) b18 71-82°, (3) b18 82-4°, (4) b18 84-5° (di-Me fumarate); the combined fractions 2 and 3 stirred with cold H2O until emulsified, cooled, and filtered, and the residue washed with iced H2O gave 8.2 g. mono-Me ester (II) of fumaric acid, m. 144.0-4.5°. II (8.2 g.) shaken several min. at room temperature with 25 cc. concentrated NH4OH, kept 2 hrs., and evaporated in vacuo, the residue dissolved in H2O, redried, redissolved in H2O, and passed through Dowex 50 (H), the effluent and the washing from the column combined, concentrated at 40°, and allowed to stand, and the crystalline deposit recrystallized (H2O) and dried at 50° in vacuo yielded 6.3 g. I, which was identical with the product from asparagine. In the experiment, the researchers used 4-Oxo-2-azetidinecarboxylic acid(cas: 98019-65-9Electric Literature of C4H5NO3)

4-Oxo-2-azetidinecarboxylic acid(cas:98019-65-9) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Electric Literature of C4H5NO3 Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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

《Novel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton: design, synthesis, and antifungal activity》 was published in Frontiers in Chemistry (Lausanne, Switzerland) in 2022. These research results belong to Pan, Nianjuan; Liu, Chunyi; Wu, Ruirui; Fei, Qiang; Wu, Wenneng. Safety of 3-Chlorobenzylchloride The article mentions the following:

In this study, twenty novel pyrimidine derivatives bearing a 1,3,4-thiadiazole skeleton were designed and synthesized. Then their antifungal activity against Botrytis cinereal (B. cinereal), Botryosphaeria dothidea (B. dothidea), and Phomopsis sp. were determined using the poison plate technique. Biol. test results showed that I revealed lower EC50 values (25.9 and 50.8μg/mL) on Phompsis sp. than those of pyrimethanil (32.1 and 62.8μg/mL). In the part of experimental materials, we found many familiar compounds, such as 3-Chlorobenzylchloride(cas: 620-20-2Safety of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Safety of 3-Chlorobenzylchloride

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

Computed Properties of C9H7ClN2OOn September 15, 2003 ,《Potent quinoxaline-based inhibitors of PDGF receptor tyrosine kinase activity. Part 1: SAR Exploration and Effective Bioisosteric Replacement of a phenyl substituent》 was published in Bioorganic & Medicinal Chemistry Letters. The article was written by Myers, Michael R.; He, Wei; Hanney, Barbara; Setzer, Natalie; Maguire, Martin P.; Zulli, Allison; Bilder, Glenda; Galzcinski, Helen; Amin, Dilip; Needle, Saul; Spada, Alfred P.. The article contains the following contents:

Novel substituted 2-anilino- and 2-cycloalkylaminoquinoxalines have been found to be useful and selective inhibitors of PDGF-R autophosphorylation. Replacement of an anilino-substituent with substituted cyclohexylamino- or norbornylamino substituents led to significant improvements in the pharmacokinetic profile of these analogs. In the experiment, the researchers used many compounds, for example, 2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1Computed Properties of C9H7ClN2O)

2-Chloro-5-methoxyquinoxaline(cas: 76052-76-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Computed Properties of C9H7ClN2O

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

Cardoso, David S. P.; Kincses, Annamaria; Nove, Marta; Spengler, Gabriella; Mulhovo, Silva; Aires-de-Sousa, Joao; dos Santos, Daniel J. V. A.; Ferreira, Maria-Jose U. published an article on January 15 ,2021. The article was titled 《Alkylated monoterpene indole alkaloid derivatives as potent P-glycoprotein inhibitors in resistant cancer cells》, and you may find the article in European Journal of Medicinal Chemistry.Safety of 3-Chlorobenzylchloride The information in the text is summarized as follows:

Aiming at generating a series of monoterpene indole alkaloids with enhanced multidrug resistance (MDR) reversing activity in cancer, two major epimeric alkaloids isolated from Tabernaemontana elegans, tabernaemontanine and dregamine, were derivatized by alkylation of the indole nitrogen. Twenty-six new derivatives were prepared by reaction with different aliphatic and aromatic halides, whose structures were elucidated mainly by NMR, including 2D NMR experiments Their MDR reversal ability was evaluated through a functional assay, using as models resistant human colon adenocarcinoma and human ABCB1-gene transfected L5178Y mouse lymphoma cells, overexpressing P-glycoprotein (P-gp), by flow cytometry. A considerable increase of activity was found for most of the derivatives, being the strongest P-gp inhibitors those sharing N-phenethyl moieties, displaying outstanding inhibitory activity, associated with weak cytotoxicity. Chemosensitivity assays were also performed in a model of combination chemotherapy in the same cell lines, by studying the in vitro interactions between the compounds and the antineoplastic drug doxorubicin. Most of the compounds have shown strong synergistic interactions with doxorubicin, highlighting their potential as MDR reversers. QSAR models were also explored for insights on drug-receptor interaction, and it was found that lipophilicity and bulkiness features were associated with inhibitory activity, although linear correlations were not observed After reading the article, we found that the author used 3-Chlorobenzylchloride(cas: 620-20-2Safety of 3-Chlorobenzylchloride)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.Safety of 3-Chlorobenzylchloride

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

In 1977,Acta Chimica Academiae Scientiarum Hungaricae included an article by Varsanyi, G.; Horvath, G.; Imre, L.; Schawartz, J.; Sohar, P.; Soti, F.. Formula: C8H6Cl2O3. The article was titled 《Infrared spectra of 1,2,3,5-tetrasubstituted benzene derivatives》. The information in the text is summarized as follows:

The ring vibration in the IR of one-hundred and fifteen 1,2,3,5-tetrasubsituted benzenes are classified into 3 groups, depending on whether all 4 substituents are light or 1 or 2 of them are heavy (constants Cl, Br and/or I). The substituent effects on the fundamental vibrations of the benzene ring and their intensities, and the character of the bands associated with internal substituent vibrations are discussed. In the part of experimental materials, we found many familiar compounds, such as 3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7Formula: C8H6Cl2O3)

3,5-Dichloro-4-methoxybenzoic acid(cas: 37908-97-7) belongs to organochlorine compounds. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Formula: C8H6Cl2O3

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

In 2019,Chemical Communications (Cambridge, United Kingdom) included an article by Shen, Ni; Cheung, Chi Wai; Ma, Jun-An. Name: 3-Chloro-4-fluoronitrobenzene. The article was titled 《Direct amide synthesis via Ni-mediated aminocarbonylation of arylboronic acids with CO and nitroarenes》. The information in the text is summarized as follows:

An alternative and unconventional approach of an aminocarbonylation reaction to access aryl amides from readily available and low-cost arylboronic acids and nitroarenes was described. Nickel metal served as both reductant and catalyst in this direct aminocarbonylation. This protocol exhibited a good functional group compatibility and allows a variety of aryl amides to be synthesized, including several drug-like mols. In the part of experimental materials, we found many familiar compounds, such as 3-Chloro-4-fluoronitrobenzene(cas: 350-30-1Name: 3-Chloro-4-fluoronitrobenzene)

3-Chloro-4-fluoronitrobenzene(cas: 350-30-1) belongs to organochlorine compounds. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. Name: 3-Chloro-4-fluoronitrobenzene 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.

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

Singh, Pankaj Kumar; Chaudhari, Dasharath; Jain, Sanyog; Silakari, Om published an article in Bioorganic & Medicinal Chemistry Letters. The title of the article was 《Structure based designing of triazolopyrimidone-based reversible inhibitors for kinases involved in NSCLC》.SDS of cas: 620-20-2 The author mentioned the following in the article:

Secondary acquired mutant EGFR (L858R-T790M) overexpressed NSCLC forms one of the prevalent form of resistant NSCLC. Another subset of resistant NSCLC includes amplified cMET in mutant EGFR derived tumors. Thus, in continuation to our previous work on these two major targets of resistant NSCLC, i.e., EGFR (L858R-T790M) and cMET, we are hereby reporting reversible inhibitors of these kinases. Out of 11 lead mols. reported in our previous study, we selected triazolo-pyrimidone (BAS 09867482) scaffold for further development of small mol. dual and reversible inhibitors. Analogs of lead with different substituents on the side ring were sketched and docked in both the target kinases, followed by mol. dynamic simulations. Analogs maintaining hydrophobic interaction with M790 in secondary acquired mutant EGFR (L858R-T790M) were selected and duly synthesized. In vitro biochem. evaluation of these mols. against EGFR (L858R-T790M) and cMET kinase, along with EGFR (L858R) kinase disclosed that three mols. were having significant dual kinase inhibitory potential with IC50 values well below 100 nM. Further, in vitro anti-proliferative assay against three cell lines (A549, A431 and H460) was performed. Out of all, two compounds were having significant potency against these cell lines. In the experiment, the researchers used 3-Chlorobenzylchloride(cas: 620-20-2SDS of cas: 620-20-2)

3-Chlorobenzylchloride(cas: 620-20-2) has been used in the reaction of 3-methoxybenzyl chloride and ethyl 4-bromobenzoate in pure water, using zinc dust and a Pd catalyst.SDS of cas: 620-20-2

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