Tag: 100-200

Application of 27489-62-9In 2019 ,《Synthesis and structure-activity relationships of pyrazine-2-carboxamide derivatives as novel echinoderm microtubule-associated protein-like 4 (EML4)-anaplastic lymphoma kinase (ALK) inhibitors》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Iikubo, Kazuhiko; Kurosawa, Kazuo; Matsuya, Takahiro; Kondoh, Yutaka; Kamikawa, Akio; Moritomo, Ayako; Iwai, Yoshinori; Tomiyama, Hiroshi; Shimada, Itsuro. The article conveys some information:

Echinoderm microtubule-associated protein-like 4 (EML4)-anaplastic lymphoma kinase (ALK) is a valid therapeutic target for the treatment of EML4-ALK-pos. non-small cell lung cancer (NSCLC). We discovered 12c as a novel and potent EML4-ALK inhibitor through structural optimization of 5a. In mice xenografted with 3T3 cells expressing EML4-ALK, oral administration of 12c demonstrated potent antitumor activity. This article describes the synthesis and biol. evaluation of pyrazine-2-carboxamide derivatives along with studies of their structure-activity relationship (SAR) using computational modeling. The experimental part of the paper was very detailed, including the reaction process of trans-4-Aminocyclohexanol(cas: 27489-62-9Application of 27489-62-9)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Application of 27489-62-9

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Dietrich, Justin D.; Longenecker, Kenton L.; Wilson, Noel S.; Goess, Christian; Panchal, Sanjay C.; Swann, Steven L.; Petros, Andrew M.; Hobson, Adrian D.; Ihle, David; Song, Danying; Richardson, Paul; Comess, Kenneth M.; Cox, Philip B.; Dombrowski, Amanda; Sarris, Kathy; Donnelly-Roberts, Diana L.; Duignan, David B.; Gomtsyan, Arthur; Jung, Paul; Krueger, A. Chris; Mathieu, Suzanne; McClure, Andrea; Stoll, Vincent S.; Wetter, Jill; Mankovich, John A.; Hajduk, Philip J.; Vasudevan, Anil; Stoffel, Robert H.; Sun, Chaohong published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Development of Orally Efficacious Allosteric Inhibitors of TNFα via Fragment-Based Drug Design》.HPLC of Formula: 89466-08-0 The article contains the following contents:

Tumor necrosis factor α (TNFα) is a soluble cytokine that is directly involved in systemic inflammation through the regulation of the intracellular NF-κB and MAPK signaling pathways. The development of biol. drugs that inhibit TNFα has led to improved clin. outcomes for patients with rheumatoid arthritis and other chronic autoimmune diseases; however, TNFα has proven to be difficult to drug with small mols. Herein, we present a two-phase, fragment-based drug discovery (FBDD) effort in which we first identified isoquinoline fragments that disrupt TNFα ligand-receptor binding through an allosteric desymmetrization mechanism as observed in high-resolution crystal structures. The second phase of discovery focused on the de novo design and optimization of fragments with improved binding efficiency and drug-like properties. The 3-indolinone-based lead compound 12 (I) presented here displays oral, in vivo efficacy in a mouse glucose-6-phosphate isomerase (GPI)-induced paw swelling model comparable to that seen with a TNFα antibody. In the experimental materials used by the author, we found 2-Hydroxyphenylboronic acid(cas: 89466-08-0HPLC of Formula: 89466-08-0)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. HPLC of Formula: 89466-08-0

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《Manganese Doping in Cobalt Oxide Nanorods Promotes Catalytic Dehydrogenation》 was written by Ke, Qingping; Yi, Ding; Jin, Yangxin; Lu, Fei; Zhou, Bo; Zhan, Fei; Yang, Yijun; Gao, Denglei; Yan, Pengfei; Wan, Chao; Cui, Ping; Golberg, Dmitri; Yao, Jiannian; Wang, Xi. Recommanded Product: 873-75-6 And the article was included in ACS Sustainable Chemistry & Engineering in 2020. The article conveys some information:

Heteroatom doping in nanomaterials can import new active sites and promote catalytic activity. Here we report that Mn-doped Co3O4 nanorods (Mnx-Co3O4) via substituting Mn3+ (t2g3-eg1) for Co3+ (t2g6-eg0) exhibit ~100% yield for 4-Me benzyl alc. dehydrogenation catalysis at 60°C and no decay (8 cycles), compared with only 1.4% of activity for bare Co3O4 catalysts. We characterize the fine structures of Mnx-Co3O4 at the at. level and demonstrate that the superior catalytic performance is strongly related to the Mn3+-induced Jahn-Teller (J-T) effect, which is a geometric distortion that has generally been considered to be disadvantageous for applications. Exptl. observations and theor. calculations reveal that unsaturated Mn3+ with J-T distortion acts as an active site, and readily reacts with -OH groups of benzyl alc. adsorbed nearby, simultaneously promoting dehydrogenation to directly yield benzaldehyde. Mnx-Co3O4 catalysts rapidly dehydrogenate alcs. into aldehydes/ketones for 19 reactions with >99.9% selectivity and 14 examples with >90.2% yield. Mn3+-induced Jahn-Teller effect in Mn-doped Co3O4 catalyst promotes sustainable catalytic dehydrogenation of alcs. After reading the article, we found that the author used (4-Bromophenyl)methanol(cas: 873-75-6Recommanded Product: 873-75-6)

(4-Bromophenyl)methanol(cas: 873-75-6) undergoes three-component reaction with acetylferrocene and arylboronic acid to give ferrocenyl ketones containing biaryls.Recommanded Product: 873-75-6 It is used in the synthesis of amphiphilic, symmetric rod-coil, triblock copolymer of poly(9,9-didodecylfluorene-2,7-diyl) and poly(hydroxyl ethyl methacrylate)

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《Bis(3-hydroxymethylpyridynium) hexafluorosilicate monohydrate as a new potential anticaries agent: Synthesis, crystal structure and pharmacological properties》 was written by Gelmboldt, Vladimir O.; Shyshkin, Ivan O.; Anisimov, Vladimir Yu.; Fonari, Marina S.; Kravtsov, Victor Ch.. Recommanded Product: 100-55-0 And the article was included in Journal of Fluorine Chemistry in 2020. The article conveys some information:

The hexafluorosilicate (LH)2SiF6·H2O (1, L = 3-hydroxymethylpyridine) was obtained by reaction of 45% hexafluorosilicic acid with a MeOH solution of L (H2SiF6:L = 3:1). The crystal structure 1 is stabilized by OH···O, NH···F, and OH···F H-bonds, and CH···F contacts. The symmetry of the SiF62- anion is close to D4h. The solubility of 1 in H2O was 1.63 mol % and the degree of hydrolysis of the salt in a 1 × 10-4 M aqueous solution was 91.6%. A PASS-anal. of the spectrum of biol. activity L highlighted a low probability of toxic effects. In addition to this study using 3-Pyridinemethanol, there are many other studies that have used 3-Pyridinemethanol(cas: 100-55-0Recommanded Product: 100-55-0) was used in this study.

3-Pyridinemethanol(cas: 100-55-0) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Recommanded Product: 100-55-0

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《Binuclear chiral Ni(II) complex of tridentate OON chiral Schiff base ligand, 1-((E)-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino)methyl)naphthalen-2-ol》 was written by Maiti, Subir Kr; Bora, Aditi; Barman, Pranjit; Chandra, Asit K.; Baidya, Bidisha. HPLC of Formula: 126456-43-7 And the article was included in Journal of Coordination Chemistry in 2020. The article conveys some information:

Binuclear Ni(II) chelating complex with chiral Schiff base 1-((E)-(((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)imino)methyl)naphthalene-2-ol [Ni2L2] has been synthesized. The structure of [Ni2L2] was elucidated with single-crystal x-ray diffraction, spectroscopic (UV-vis, FTIR, mass) anal. and substantiated with computational (DFT) method. The crystal system of binuclear complex is monoclinic with space group P21/c. The asym. unit having two tridentate OON-donor sets are in slightly distorted square-planar geometry around each Ni(II) center. The distortion is due to strong coordination between two Ni(II) ions. The stabilization of complex [Ni2L2] occurs due to noncovalent interactions and hydrogen bonding (C-H…C and C-H…O), H…H, O…H, C…H, and C-H…π stacking interactions, and van der Waals interactions. DFT optimization, with little acceptable discrepancies, correlate with the x-ray diffraction data as well as TD DFT optimization for electronic transitions of the complex showing acceptable alignment with spectroscopic data. The complex displays appreciable inclination towards DNA-binding with calf-thymus DNA (CT DNA) and the DNA-binding studies were carried out by UV-visible spectroscopy, fluorescence spectroscopy, cyclic voltammetry, viscosity measurements, and CD spectroscopy. The DNA-binding study reveals that the order of binding constant value is in 105M1, supporting the effective efficiency of binding and the modes of binding are intercalation and groove.(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7HPLC of Formula: 126456-43-7) was used in this study.

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.HPLC of Formula: 126456-43-7

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《Ionic Hydrogen-Bonded Organic Frameworks for Ion-Responsive Antimicrobial Membranes》 was written by Liu, Bai-Tong; Pan, Xiao-Hong; Nie, Dan-Yue; Hu, Xiao-Jing; Liu, En-Ping; Liu, Tian-Fu. Recommanded Product: 5-Hexen-1-ol And the article was included in Advanced Materials (Weinheim, Germany) in 2020. The article conveys some information:

Functionalization of hydrogen-bonded organic frameworks (HOFs) for specific applications has been a long-lasting challenge in HOF materials. Here, an efficient way to integrate functional species in the HOF structure through constructing an anionic framework is presented. The obtained HOFs, taking PFC-33 (PFC = porous materials from FJIRSM,CAS) as an example, integrate a porphyrin photosensitizer as a porous backbone and a com. biocide as counterions in the structure. The permanent channels and the electrostatic interaction between the framework and the counterions provide PFC-33 ion-responsive biocide-release behavior in various physiol. environments, thus exhibiting synergistic photodynamic and chem. antimicrobial efficiency. The unbonded carboxyl groups residing on the HOF surface further allow for manipulating the interfacial interaction between the PFC-33 and the polymer matrix for membrane fabrication. Therefore, a polyHOF membrane with high stability, desired flexibility, and good permeability is obtained, which demonstrates noticeable bacterial inhibition toward Escherichia coli. This study may shed light on the functionalization of HOF materials for broad application potentials. In the experiment, the researchers used 5-Hexen-1-ol(cas: 821-41-0Recommanded Product: 5-Hexen-1-ol)

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Recommanded Product: 5-Hexen-1-ol

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《An Imidazolium-Based Lipid Analogue as a Gene Transfer Agent》 was written by Paulisch, Tiffany O.; Bornemann, Steffen; Herzog, Marius; Kudruk, Sergej; Roling, Lena; Linard Matos, Anna Livia; Galla, Hans-Joachim; Gerke, Volker; Winter, Roland; Glorius, Frank. Electric Literature of C6H15NO And the article was included in Chemistry – A European Journal in 2020. The article conveys some information:

A dicationic imidazolium salt is described and investigated towards its application for gene transfer. The polar head group and the long alkyl chains in the backbone contribute to a lipid-like behavior, while an alkyl ammonium group provides the ability for crucial electrostatic interaction for the transfection process. Detailed biophys. studies regarding its impact on biol. membrane models and the propensity of vesicle fusion are presented. Fluorescence spectroscopy, at. force microscopy and confocal fluorescence microscopy show that the imidazolium salt leads to negligible changes in lipid packing, while displaying distinct vesicle fusion properties. Cell culture experiments reveal that mixed liposomes containing the novel imidazolium salt can serve as plasmid DNA delivery vehicles. In contrast, a structurally similar imidazolium salt without a second pos. charge showed no ability to support DNA transfection into cultured cells. Thus, we introduce a novel and variable structural motif for cationic lipids, expanding the field of lipofection agents. In the experimental materials used by the author, we found 6-Aminohexan-1-ol(cas: 4048-33-3Electric Literature of C6H15NO)

6-Aminohexan-1-ol(cas: 4048-33-3) may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties. It can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine.Electric Literature of C6H15NO

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《Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers》 was written by Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng. SDS of cas: 126456-43-7 And the article was included in Journal of the American Chemical Society in 2020. The article conveys some information:

A scalable enantioselective nickel-catalyzed electrochem. reductive homocoupling of aryl bromides has been developed, affording enantioenriched axially chiral biaryls in good yield under mild conditions using electricity as a reductant in an undivided cell [e.g., 2-(benzyloxy)-1-bromonaphthalene → (R)-2,2′-bis(benzyloxy)-1,1′-binaphthyl (72% yield (65% isolated), 93% ee) using a chiral indan-fused oxazoline and NiCl2.glyme in presence of mol. sieves]. Common metal reductants such as Mn or Zn powder resulted in significantly lower yields in the absence of elec. current under otherwise identical conditions, underscoring the enhanced reactivity provided by the combination of transition metal catalysis and electrochem. The experimental part of the paper was very detailed, including the reaction process of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7SDS of cas: 126456-43-7)

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. Halogenation, in which one or more hydrogen atoms of an amine is replaced by a halogen atom, occurs with chlorine, bromine, and iodine, as well as with some other reagents, notably hypochlorous acid (HClO). With primary amines the reaction proceeds in two stages, producing N-chloro- and N,N-dichloro-amines, RNHCl and RNCl2, respectively. With tertiary amines, an alkyl group may be displaced by a halogen.SDS of cas: 126456-43-7

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《One-pot synthesis of 2-amino-3-cyanopyridines and hexahydroquinolines using eggshell-based nano-magnetic solid acid catalyst via anomeric-based oxidation》 was written by Akbarpoor, Tahere; Khazaei, Ardeshir; Seyf, Jaber Yousefi; Sarmasti, Negin; Gilan, Maryam Mahmoudiani. Synthetic Route of C7H6O2 And the article was included in Research on Chemical Intermediates in 2020. The article conveys some information:

In the present research, the eggshell as a hazardous waste by European Union regulations was converted to a valuable catalyst, namely nano-Fe3O4@(HSO4)2. The as-prepared catalyst, first, was characterized using different techniques, including Fourier-transform IR spectroscopy, X-ray diffraction, energy-dispersive X-ray spectroscopy, field emission SEM, and transmission electron microscopy. Back-titration method confirmed the loading of a high surface d. of acidic group, namely 8.8 mmol HSO4 per g of the catalyst. The catalytic property of the as-prepared catalyst was examined in the synthesis of 2-amino-3-cyanopyridines via anomeric-based oxidation (ABO), and hexahydroquinolines derivatives High yield, short reaction time, solvent-free condition, waste to wealth, and optimization with the design of experiment are the major advantages of the present work. Taken together, these results suggest the conversion of waste to wealth products around the world and usage in organic transformation. After reading the article, we found that the author used 3-Hydroxybenzaldehyde(cas: 100-83-4Synthetic Route of C7H6O2)

3-Hydroxybenzaldehyde(cas: 100-83-4) can be used as a reactant along with ethyl acetoacetate and thiourea in the synthesis of corresponding dihydropyrimidine-2-thione (monastrol), using Yb(OTf)3 as a catalyst by Biginelli cyclocondensation reaction.Synthetic Route of C7H6O2

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《Chlorine Dioxide Controls Green Mold Caused by Penicillium digitatum in Citrus Fruits and the Mechanism Involved》 was published in Journal of Agricultural and Food Chemistry in 2020. These research results belong to Liu, Xin; Jiao, Wenxiao; Du, Yamin; Chen, Qingmin; Su, Zhengbo; Fu, Maorun. Name: 6-Aminohexan-1-ol The article mentions the following:

Green mold caused by Penicillium digitatum is the main postharvest disease in citrus fruits. The goal of this study is to evaluate the antifungal activity of chlorine dioxide (ClO2) against P. digitatum both in vivo and in vitro and to elucidate the underlying mechanism using flow cytometry and SEM. The results showed that 200-1800 mg/L of ClO2 significantly inhibited the incidence of green mold on kumquats, mandarins, Peru′s oranges, and grapefruits caused by P. digitatum. Addnl., 200 mg/L of ClO2 significantly induced cell apoptosis of P. digitatum by increasing the fluorescence intensity of the mitochondrial membrane potential from 118 to 1225 and decreased the living cell rate from 96.8 to 6.1%. Further study demonstrated that the content of malondialdehyde and nucleic acid leakage (OD260) of P. digitatum markedly increased, and the mycelial morphol. was seriously damaged with increased ClO2 concentration These results indicated that ClO2 could inhibit fungal growth by destroying the membrane integrity of P. digitatum, and the use of ClO2 may be an alternative strategy to control green mold in postharvest citrus fruits. The experimental process involved the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3Name: 6-Aminohexan-1-ol)

6-Aminohexan-1-ol(cas: 4048-33-3) may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties. It can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine.Name: 6-Aminohexan-1-ol

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