Tag: 112.1927

Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: SAR and Structural Characterization was written by Whelligan, Daniel K.;Solanki, Savade;Taylor, Dawn;Thomson, Douglas W.;Cheung, Kwai-Ming J.;Boxall, Kathy;Mas-Droux, Corine;Barillari, Caterina;Burns, Samantha;Grummitt, Charles G.;Collins, Ian;van Montfort, Rob L. M.;Aherne, G. Wynne;Bayliss, Richard;Hoelder, Swen. And the article was included in Journal of Medicinal Chemistry in 2010.Formula: C6H8S This article mentions the following:

We report herein the first systematic exploration of inhibitors of the mitotic kinase Nek2. Starting from HTS hit aminopyrazine I, compounds with improved activity were identified using structure-based design. Our structural biol. investigations reveal two notable observations. First, I and related compounds bind to an unusual, inactive conformation of the kinase which to the best of our knowledge has not been reported for other types of kinase inhibitors. Second, a phenylalanine residue at the center of the ATP pocket strongly affects the ability of the inhibitor to bind to the protein. The implications of these observations are discussed, and the work described here defines key features for potent and selective Nek2 inhibition, which will aid the identification of more advanced inhibitors of Nek2. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Formula: C6H8S).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Thallium(III) Trifluoroacetate-Trifluoroacetic Acid in the Chemistry of Polythiophenes. 2. Treatment of 3-Alkylthiophenes and Electron Paramagnetic Resonance Results was written by Tormo, Jordi;Moreno, F. Jesus;Ruiz, Jordi;Fajari, Lluis;Julia, Luis. And the article was included in Journal of Organic Chemistry in 1997.Safety of 3-Ethylthiophene This article mentions the following:

The treatment of thiophene and 3-alkylthiophenes with thallium(III) trifluoroacetate (TTFA) in trifluoroacetic acid (TFA) gives insoluble and dark powdery solids with oxygen content and elec. conductivities ranging from 10^-4 to 10^-6 Ω^-1 cm^-1. Polar and short fractions are negligible. All of them show semiconductivity (10^-3-10^-6 Ω^-1 cm^-1) when doped in iodine atm. ESR (EPR) spectra of either as-synthesized or I₂-treated solids display characteristic single and broad lines (ΔH_pp, 1.84-7.4 G) with Lorentzian shapes and g-values in the range 2.0028-2.0038. IR spectra show characteristic C-H out-of-plane deformations (780 cm^-1 for polythiophene and 820-825 cm^-1 for poly(3-alkylthiophenes)) in addition to a strong peak at 1650-1690 cm^-1 which has not been conclusively assigned. EPR spectra of some disubstituted and tetrasubstituted 2,2′-bithiophene radical cations have been observed and their g-values and coupling constants assigned when the corresponding parent compounds are photolyzed with UV light in TFA. Photolysis of 3-alkylthiophenes in TFA in the EPR instrument gave the radical cations of 4,4′-dialkyl-2,2′-bithiophenes. In no case, were EPR signals of the isomeric 3,3′-dialkyl- or 3,4′-dialkyl-2,2′-bithiophene radical cations observed, indicating that dimerization of 3-alkylthiophenes occurs through the less sterically hindered 5-position. The presence of two doublet species corresponding to both conformers, syn and anti, in the radical cations is associated with a large barrier to rotation about the C(2)-C(2′) bond. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Safety of 3-Ethylthiophene).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Safety of 3-Ethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Copper-Catalyzed Oxidative C-C Bond Cleavage of Alkyl-(Hetero)arenes Enabling Direct Access to Nitriles was written by Xue, Gaijun;Xie, Fukai;Liang, Hongliang;Chen, Guoliang;Dai, Wen. And the article was included in Organic Letters in 2022.Quality Control of 3-Ethylthiophene This article mentions the following:

The cleavage and functionalization of C-C bonds has emerged as a powerful tool for discovery of new transformations. Herein, authors report a protocol that enables direct synthesis of nitriles via copper-catalyzed oxidative cleavage and cyanation of C-C bonds in a wide variety of multicarbon alkyl-substituted (hetero)arenes. Detailed mechanistic studies reveal that a tandem oxidative process is involved in this transformation. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Quality Control of 3-Ethylthiophene).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Quality Control of 3-Ethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The influence of hydrocarbon compositions of transformer oils on the electrostatic charging tendency was written by Yu, Hui-min;Ma, Shu-jie;Zhang, Qi;Zhang, Ling-jun. And the article was included in Runhuayou in 2010.Application In Synthesis of 3-Ethylthiophene This article mentions the following:

The results of studies on the electrostatic charging tendency of flowing transformer oils for OF-or OD- cooled super high voltage transformers were summarized. The influence of hydrocarbon compositions of transformer oils on the electrostatic charging tendency was studied in detail, in which the electrostatic charging tendency of naphthenic transformer oils with different aromatic hydrocarbons content, and the electrostatic charging tendency of different crude oil style transformer oils with the same aromatic hydrocarbons content were mostly investigated. The influences of the sulfide compounds, the nitride compounds, as well as poly-aromatics content on the electrostatic charging tendency were also studied. It was found that high poly-aromatics content in transformer oils should increase the electrostatic charging tendency of transformer oils. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Application In Synthesis of 3-Ethylthiophene).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Application In Synthesis of 3-Ethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The preparation of thiophenes. II. From C₅-C₇-molecules and carbon disulfide was written by Azizian, Farid;Pizey, James S.. And the article was included in Journal of Chemical Technology and Biotechnology (1979-1982) in 1980.Recommanded Product: 1795-01-3 This article mentions the following:

Alkylthiophenes were prepared in high yields by passing 7 C_5-7 alcs., 2-pentanone, or 2-hexanone and CS₂ over a promoted Cr-Al₂O₃ (Girdler G41) catalyst in the vapor phase at 500°. n-Pentane reacted with CS₂ at 600° under similar conditions to give 2-methylthiophene and thiophene in 35% and 20% yields, resp. The reaction products were identified by ¹³C NMR, IR spectroscopy, and gas-liquid chromatog., and the mechanism of the reactions is discussed with particular reference to n-pentane and 2-pentanone. The reaction of 2-pentanol with ¹³CS₂ was used to study the incorporation of the C atom of CS₂ into the thiophene ring. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Recommanded Product: 1795-01-3).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Recommanded Product: 1795-01-3

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Characterization of aroma-active compounds and perceptual interaction between esters and sulfur compounds in Xi baijiu was written by Ma, Ning;Yi, Fengping;Zhu, Jiancai. And the article was included in European Food Research and Technology in 2020.Reference of 1795-01-3 This article mentions the following:

The aroma-active compounds of three Xi baijiu samples (Xijiulan, Y1, Xijiuyinxiangguizhou, Y2 and Xijiuyinzhi, Y3) were analyzed by gas chromatog.-olfactometry (GC-O), GC-flame photometric detection (FPD) and odor activity value (OAV). The results indicated that a total of 92 aroma compounds were determined, including 16 sulfur compounds Furthermore, 2-methyl-3-furanthiol (OAV: 31-220), 3-mercapohexyl acetate (OAV: 1870), di-Me trisulfide (OAV: 333-400), 3-mercaptohexanol (OAV: 34-36), β-damascenone (OAV: 1317-1342), 2-butylfuran (OAV: 629-672), Et 3-methylbutanoate (OAV: 655-899), Et hexanoate (OAV: 687-729), and Et octanoate (OAV: 1164-1362) exhibited much higher OAVs and aroma intensities (AIs) than other compounds Finally, the perceptual interactions between five sulfur compounds and six esters were studied using Feller’s additive model in Y2. Among the 30 binary mixtures, 12 groups showed an additive effect, 4 groups exhibited a synergistic effect, and 14 groups exerted a masking effect. These data indicated that di-Me disulfide and 2-methyl-3-furanthiol had masking and additive effects on the aroma of esters. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Reference of 1795-01-3).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, sertaconazole, and also BTCP.Reference of 1795-01-3

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Insights into the Reactivity of Thiophene: Heterogeneous Alkylation was written by Lucarelli, C.;Giugni, A.;Vaccari, A.. And the article was included in Topics in Catalysis in 2016.Category: benzothiophene This article mentions the following:

The importance of thiophene derivatives in the fine chem. industry lies in the use of this class of mols. as raw materials in the synthesis of drugs, fragrances and pesticides. Nowadays, the synthesis of these mols. is multistep and expensive. The gas phase alkylation of thiophene on solid acid catalysts has been deeply studied by focusing on the possibility to control the product distribution of the reaction, paying particular attention to the relative amount of the 2- and 3-alkylthiophene, kinetic and thermodn. products resp. The difficulties in changing the 2:3 isomer ratio have been justified through the comprehension of thiophene behavior on the catalyst surface, that is responsible for the complex adsorption/desorption phenomena. It has been shown that the reaction is mainly affected by the strong adsorption of thiophene on the catalytic sites, with the critical step of the reaction represented by the saturation of the catalyst surface. In the experiment, the researchers used many compounds, for example, 3-Ethylthiophene (cas: 1795-01-3Category: benzothiophene).

3-Ethylthiophene (cas: 1795-01-3) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Category: benzothiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem