Tag: M.W:100-200

Name: Anthrone, Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects.90-44-8, Name is Anthrone, SMILES is O=C1C2=C(C=CC=C2)CC3=CC=CC=C13, belongs to thiomorpholine compound. In a article, author is Rodriguez-Lozada, Josue, introduce new discover of the category.

We have previously reported the synthesis, in vitro and in silico activities of new GABA analogues as inhibitors of the GABA-AT enzyme from Pseudomonas fluorescens, where the nitrogen atom at the gamma-position is embedded in heterocyclic scaffolds. With the goal of finding more potent inhibitors, we now report the synthesis of a new set of GABA analogues with a broader variation of heterocyclic scaffolds at the gamma-position such as thiazolidines, methyl-substituted piperidines, morpholine and thiomorpholine and determined their inhibitory potential over the GABA-AT enzyme from Pseudomonas fluorescens. These structural modifications led to compound 9b which showed a 73% inhibition against this enzyme. In vivo studies with PTZ-induced seizures on male CD1 mice show that compound 9b has a neuroprotective effect at a 0.50 mmole/kg dose. A QSAR study was carried out to find the molecular descriptors associated with the structural changes in the GABA scaffold to explain their inhibitory activity against GABA-AT. Employing 3D molecular descriptors allowed us to propose the GABA analogues enantiomeric active form. To evaluate the interaction with Pseudomonas fluorescens and human GABA-AT by molecular docking, the constructions of homology models was carried out. From these calculations, 9b showed a strong interaction with both GABA-AT enzymes in agreement with experimental results and the QSAR model, which indicates that bulky ligands tend to be the better inhibitors especially those with a sulfur atom on their structure.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Yamakuma, Michiko, once mentioned the application of 1075-49-6, Name is 4-Vinylbenzoic acid, molecular formula is C9H8O2, molecular weight is 148.16, MDL number is MFCD00002569, category is thiomorpholine. Now introduce a scientific discovery about this category, SDS of cas: 1075-49-6.

A new halenaquinone derivative, 1-hydroxyethylhalenaquinone (1), was isolated from the marine sponge Xestospongia sp. as a proteasome inhibitor together with three known compounds, halenaquinone (2) and 3-ketoadociaquinones A (3) and B (4). 1-Hydroxyethylhalenaquinone (1) was the first halenaquinone derivative containing an alkyl group at the keto-furan C-1 position. Compounds 1 and 2 inhibited the chymotrypsin-like activity of the proteasome with IC50 values of 0.19 and 0.63 mu M, respectively, whereas 3 or 4, each containing a thiomorpholine 1,1-dioxide moiety, scarcely inhibited its activity, even at a concentration of 5 mu M.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

In chemical reaction engineering, simulations are useful for investigating and optimizing a particular reaction process or system. In an article, author is Yamakuma, Michiko, once mentioned the application of 90-05-1, Name is Guaiacol, molecular formula is C7H8O2, molecular weight is 124.1372, MDL number is MFCD00002185, category is thiomorpholine. Now introduce a scientific discovery about this category, Related Products of 90-05-1.

A new halenaquinone derivative, 1-hydroxyethylhalenaquinone (1), was isolated from the marine sponge Xestospongia sp. as a proteasome inhibitor together with three known compounds, halenaquinone (2) and 3-ketoadociaquinones A (3) and B (4). 1-Hydroxyethylhalenaquinone (1) was the first halenaquinone derivative containing an alkyl group at the keto-furan C-1 position. Compounds 1 and 2 inhibited the chymotrypsin-like activity of the proteasome with IC50 values of 0.19 and 0.63 mu M, respectively, whereas 3 or 4, each containing a thiomorpholine 1,1-dioxide moiety, scarcely inhibited its activity, even at a concentration of 5 mu M.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Modeling chemical reactions helps engineers virtually understand the chemistry, optimal size and design of the system, and how it interacts with other physics that may come into play. In an article, author is Clifford, Sarah E., once mentioned the application of 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formula is C9H8, molecular weight is 116.16, MDL number is MFCD00008571, category is thiomorpholine. Now introduce a scientific discovery about this category, Electric Literature of 766-97-2.

Complexation of the symmetric cyclic diamine piperazine (1,4-diazacyclohexane) has been examined in dry dimethyl formamide by spectrophotometric titrations (with Cu2+, Ni2+) to define formation constants, and by stopped-flow kinetics to define the complexation rates and reaction pathway. Initial formation of a rarely observed eta(1)-piperazine intermediate occurs in a rapid second-order reactions. This intermediate then undergoes two competing reactions: formation of (chelated) eta(2)-piperazine (ML) or the formation of (bridging) mu-piperazine (in M2L and M2L3, speciation depending on relative concentrations). Protonation constants and formation constants for complexation in water of N-ethylpiperazine and thiomorpholine (1-aza-4-thiocyclohexane, tm) have been determined by potentiometric titration; 1:1 complexes with first-row M2+ display a log K from similar to 4 to 6, with speciation that suggests chelation of the heterocycles may be involved. Complexation of thiomorpholine has been further probed by the synthesis of Pd-II complexes. The N-monodentate coordination mode has been confirmed in trans-[Pd(tm)(2)Br-2] by an X-ray crystal structure. Complexation of N-(2-aminoethyl)piperazine to Cu-II as a bidentate ligand involving the primary and tertiary amines is also defined by an X-ray crystal structure.

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Thiomorpholine – Wikipedia,
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As a society publisher, everything we do is to support the scientific community – so you can trust us to always act in your best interests, and get your work the international recognition that it deserves., Electric Literature of 529-35-1, 529-35-1, Name is 5,6,7,8-Tetrahydro-1-naphthol, molecular formula is C10H12O, belongs to thiomorpholine compound. In a document, author is Ayers, Sloan, introduce the new discover.

Over-alkylation side products are common in the alkylation of amines by substitution. In the synthesis of the novel HIV Maturation inhibitor BMS-955176, two over-alkylation byproducts were routinely observed at the penultimate synthetic step, in which a thiomorpholine dioxide side chain was added to the core molecule by alkylation of a primary amine. These two byproducts had drastically different HPLC relative retention times, despite both containing only one additional side chain. Adding complexity to the challenge of solving their structures was the proclivity of the two byproducts to interconvert. Positive- and negative-ion HRMS, as well as isolation and 1D and 2D NMR were utilized to determine their structures. These byproducts were additionally problematic in that they led to daughter impurities at the API step. (C) 2018 Elsevier Ltd. All rights reserved.

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Thiomorpholine – Wikipedia,
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Healthcare careers for chemists are once again largely based in laboratories, although increasingly there is opportunity to work at the point of care, helping with patient investigation. 766-97-2, Name is 1-Ethynyl-4-methylbenzene, molecular formurla is C9H8. In a document, author is Michniak, BB, introducing its new discovery. COA of Formula: https://www.ambeed.com/products/766-97-2.html.

Dermal penetration enhancers were evaluated (14) using diffusion cell techniques, hairless mouse skin and hydrocortisone as the model drug. The following were synthesized: 1-dodecanoylpiperidine (1), 1-dodecanoylpyrrolidine (2), 1-dodecanoyl-2-piperidinone (3), 1-dodecanoyl-2-pyrrolidinone (4), 2-decylcyclohexanone (5), 2-decylcyclopentanone (6), 4-(dodecanoyl)-thiomorpholine (7), N,N-didodecylacetamide (8) and N-dodecyltricyclo [3.3.1.1(3,7)]decane-1-carboxamide (11). N-Acetylcaprolactam (9), 4-acetylmorpholine (10) and N-dodecylpyrrolidinone (13) were purchased. The syntheses of Azone, N-(1-oxododecyl)morpholine (12) and N-dodecyl-2-piperidinone (14) have been reported previously. Enhancers were applied at 0.4 M in propylene glycol (PG) (or as a suspension) to mouse skin. Hydrocortisone (0.03 M in PG) was applied 1 h following enhancer treatment. Controls (no pretreatment) yielded 24 h diffusion cell receptor concentrations (Q(24)) of 9.93 +/- 3.15 mu M and model drug skin retention of 26.1 +/- 5.6 mu g g(-1). Compound 7 yielded a high Q(24) of 208.18 +/- 39.52 mu M. The highest skin retention was observed with 6 of 566.7 +/- 39.7 mu g g(-1). Azone gave values of 218.96 +/- 47.84 mu M for Q(24) and 294.9 +/- 66.7 mu g g(-1) for skin retention. Compounds 13 and 14 gave Q(24) values of 274.44 +/- 50.90 and 220.21 +/- 59.63 mu M and skin retention values of 226.5 +/- 51.8 and 259.0 +/- 62.2 mu g g(-1), respectively. (C) 1998 Elsevier Science B.V.

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Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem

Chemical engineers work across a number of sectors, but chemistry and chemical engineering roles are found throughout, creation and manufacturing process of chemical products and materials. In an article, author is Besse, P, once mentioned the application of 86-55-5, Name is 1-Naphthoic acid, molecular formula is C11H8O2, molecular weight is 172.18, MDL number is MFCD00004007, category is thiomorpholine. Now introduce a scientific discovery about this category, Application of 86-55-5.

A strain of Mycobacterium sp. RP1 was isolated from a contaminated activated sludge. It was capable of utilizing morpholine, a waste of chemical industry, as sole source of carbon, nitrogen and energy. The kinetic of biodegradation of morpholine was followed directly on the incubation medium using in situ H-1 NMR. This technic allowed to identify two intermediates of the degradative pathway: glycolate and 2-(2-aminoethoxy)acetate. The inhibitory effects of metyrapone on the degradative abilities of the strain RP1 indicated the involvement of a cytochrome P450. This observation was confirmed by spectrophotometric analysis and H-1 NMR. Metyrapol, a known metabolite of metyrapone, was also found to be an inhibitor. The same study of degradation of thiomorpholine showed the formation of sulfoxide, which confirmed the presence of a cytochrome P450. (C) 1998 Elsevier Science B.V. All rights reserved.

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Thiomorpholine – Wikipedia,
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Application In Synthesis of 2,2-(Phenylimino)diethanol, Chemical engineers ensure the efficiency and safety of chemical processes, adapt the chemical make-up of products to meet environmental or economic needs, and apply new technologies to improve existing processes. 120-07-0, Name is 2,2-(Phenylimino)diethanol, SMILES is OCCN(C1=CC=CC=C1)CCO, belongs to thiomorpholine compound. In a article, author is Samzadeh-Kermani, A., introduce new discover of the category.

A novel catalytic reaction involving terminal alkynes, carbon disulfide, and aziridines has been described. In this transformation, silver-acetylides react with carbon disulfide and aziridines to form 1,4-thiomorpholine molecules in good yields. The optimum conditions developed using silver iodide and (i-Pr)(2)EtN in DMF at 70 degrees C. [GRAPHICS] .

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Thiomorpholine – Wikipedia,
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Chemical engineers work across a number of sectors, but chemistry and chemical engineering roles are found throughout, creation and manufacturing process of chemical products and materials. In an article, author is Wang, Xiqu, once mentioned the application of 95-83-0, Name is 4-Chlorobenzene-1,2-diamine, molecular formula is C6H7ClN2, molecular weight is 142.5862, MDL number is MFCD00011691, category is thiomorpholine. Now introduce a scientific discovery about this category, Formula: https://www.ambeed.com/products/95-83-0.html.

Deformation of the microporous MIL-47 framework VO(bdc), bdc = 1,4-benzenedicarboxylate, upon absorption of carbon disulfide, tetrahydrothiophene, thiomorpholine and thioxane is investigated by single crystal X-ray diffraction. Intercalation of CS2 significantly expands the channel opening by a breathing deformation mode of the framework characterized solely by a cooperative translation of the octahedral chains, in contrast to intercalation of many other molecules that usually cause contraction of the channel opening. Upon loading of CS2 the short diagonal of the rhombic channel expanded by 0.91 angstrom and the maximum spherical void diameter increases to 8.0 angstrom from 7.6 angstrom of VO(bdc) with empty channels. Loading of the three cyclic organosulfur molecules all results in a strong twisting deformation of the framework featured by cooperative rotation of the octahedral chains by 21.3 degrees-28.2 degrees, bending of the bdc ligand and lowering of the space group symmetry from Pnma to P2(1)2(1)2(1). The maximum spherical void diameter of the framework decreases to 6.8 angstrom from 7.6 angstrom upon intercalation of tetrahydrothiophene or thiomorpholine, and to 6.0 angstrom upon intercalation of thioxane. Intercalation of thioxane leads to the highest degree of twisting known for the VO(bdc) framework combined with a substantial breathing contraction of the channel. The host-guest interactions are predominantly van der Waals in nature and the framework deformations are presumably driven by maximizing the van der Waals contacts. (C) 2015 Elsevier Inc. All rights reserved.

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Thiomorpholine – Wikipedia,
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Formula: https://www.ambeed.com/products/492-37-5.html, Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects.492-37-5, Name is 2-Phenylpropionic acid, SMILES is C1=C(C(C(O)=O)C)C=CC=C1, belongs to thiomorpholine compound. In a article, author is Bell, NA, introduce new discover of the category.

Reactions involving the donors N-methyl-2-methylbenzothiazolium-andN-(1-propyl)-2-methylbenzothiazolium iodide with the acceptor 2,3,5,6-tetramethyl-7,7,8,8-tetracyano-p-quinodimethane (TMTCNQ) in the presence of a suitable base lead to the isolation of novel [(Z)-beta-(N-alkylbenzothiazol-3-ium-2-yl)-alpha-cyano-2,3,5,6-tetramethyl-4-styryl]dicyanomethanide chromophores. Under prolonged reaction periods, these first examples of charge transfer compounds incorporating the distorted TMTCNQ electron acceptor, undergo further reaction at the acrylonitrile functionality promoting the synthesis of novel thiomorpholine-based charge transfer compounds via a sulfur mediated cyclisation reaction. This second reaction illustrates a fundamentally new type of TCNQ-based chemistry as confirmed by X-ray crystallography and high-resolution mass spectrometry. A possible reaction mechanism for the formation of the thiomorpholine-based chromophores is considered.

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Reference:
Thiomorpholine – Wikipedia,
,Thiomorpholine | C4H9NS – PubChem