The Best Chemistry compound: 56-17-7

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Synthesis of the symmetrical 3,5-bis(difluoromethyl)-1,4-thiazine 1,1-dioxides

A convenient synthesis of the symmetrical bis(difluoromethyl)-1,4-thiazine 1,1-dioxides was carried out via heterocyclization of bis(2,2,3,3-tetrafluoropropyl)sulfone with ammonia and primary amines. The reaction with excess of ammonia leads to the formation of 3,5-bis(difluoromethyl)-4H-1,4-thiazine 1,1-dioxide. The result of the reaction with primary amines is determined by spatial nature of substituent at the nitrogen atom. 3,5-Bis(difluoromethyl)-4-propyl-4H-1,4-thiazine 1,1-dioxide and 3,5-bis(difluoromethyl)-4-(p-tolyl)-4H-1,4-thiazine 1,1-dioxide were prepared by the reactions of bis(2,2,3,3-tetrafluoropropyl)sulfone with n-propylamine and p-toluidine accordingly. The reaction of bis(2,2,3,3-tetrafluoropropyl)sulfone with tert-butylamine gives the 1,1′-sulfonylbis(N-(tert-butyl)-3,3-difluoroprop-1-en-2-amine). (C) 2015 Elsevier B.V. All rights reserved.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Our Top Choice Compound: C4H14Cl2N2S2

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Computational screening of phytochemicals against survivin protein: A potent target for cancer

Survivin (IAP proteins) is considered as a significant target for anticancer drug research owing to its upregulation in tumor cells to mediate resistance to apoptotic stimulus. The current study aimed to investigate phytochemicals as inhibitors of survivin with caspases to reactivate the functioning of caspases through molecular docking. The compounds namely 2(R), 4(R)-dihydroxypyrrolidine, 4-hydroxy-2-(4-methoxypheny1)-1,1-dioxo-3,4-dihydrothieno [3,2-e] thiazine-6-sulfonami de, 2,3-Diketo-L-gulonic acid, (3-hydroxy-2-octadeca-9,12-dienoyloxypropyl) octadecanoate, 2-[[4-[[4-[(4-formamido-l-methylimidazole-2-carbonyl)amino]-1-methylimidazole-2-carbonyl]amino]-1methylimidazole-2-carbonyliamino]ethyl-dimethylazanium, Picolinic acid and (2-Hydroxy-5-nitrophenyl) dihydrogen phosphate successfully bind inside the pocket of survivin. ADMETsar was used to evaluate the anticancer potential of selected compounds. These compounds can be proposed as effective inhibitors, disrupting the survivin-caspases interaction and reactivating the caspases function of apoptosis. The study might facilitate the development of cost-effective and natural drugs against cancer. However, further validation is essential for confirmation of its drug efficacy and bio-compatibility.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Final Thoughts on Chemistry for 2,2′-Disulfanediyldiethanamine dihydrochloride

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Crystal structure of rac-2,3-diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one 1-oxide

In the title compound, C(16)Hi(5)NO(2)S [alternative name: rac-2,3-diphenyl-1,3-thiazinan-4-one 1-oxide], the thiazine ring exhibits an envelope conformation, with the S atom forming the flap. The sulfoxide 0 atom is in a pseudo-axial position on the thiazine ring and is trans to the phenyl group on C-2. The phenyl rings form a dihedral angle of 89.47 (19)degrees. In this racemate crystal, homochiral molecules form slabs parallel to (010) of thickness b/2 which then stack with alternating chirality in the b-axis direction. The stacking is aided by edge-to-face interactions between the phenyl rings of racemic molecules. Within each of the single-enantiomer slabs, the molecules are held by C-H center dot center dot center dot O-type interactions, with an H center dot center dot center dot O distance of 2.30 angstrom, forming infinite chains along the c-axis direction, as well by the edge-to-face interactions between phenyl rings of neighboring molecules in the a-axis direction.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Final Thoughts on Chemistry for C4H14Cl2N2S2

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While the job of a research scientist varies, most chemistry careers in research are based in laboratories, where research is conducted by teams following scientific methods and standards. 56-17-7, Name is 2,2′-Disulfanediyldiethanamine dihydrochloride, belongs to thiazines compound, is a common compound. In a pantent, author is Zolali, Amin, once mentioned the new application about 56-17-7, SDS of cas: 56-17-7.

A Convenient Synthesis of 2-Imino-1,3-Thiazine-4-One Derivatives from the Reaction of Primary Amines and Phenyl Isothiocyanate in the Presence of Acryloyl Chloride

An efficient, one-pot and three-component synthesis of biologically important heterocyclic compounds is described from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride at room temperature without the need to use any catalyst.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Our Top Choice Compound: C4H14Cl2N2S2

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An alternative approach to the synthesis of new pyrimido[5 ‘,4 ‘:5,6][1,4]thiazino[2,3-b]quinoxaline derivatives

An alternative approach to the synthesis of a series of new pyrimido[5′,4’:5,6][1,4]thiazino[2,3-b] quinoxaline derivatives is described. Reaction of 5-bromo-2,4-dichloro-6-methylpyrimidine and 3-aminoquinoxaline-2-thiol leads to the key intermediate 3-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)thio]quinoxalin-2-amine. This intermediate can be transformed into the title ring systems by subsequent treatment either with secondary amines followed by intramolecular cyclisation or initial intramolecular cyclisation with subsequent reaction with secondary amines.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Something interesting about C4H14Cl2N2S2

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You could be based in a university, combining chemical research with teaching; in a pharmaceutical company, working on developing and trialing new drugs, helping to ensure national healthcare provision keeps pace with new discoveries , SDS of cas: 56-17-7, 56-17-7, Name is 2,2′-Disulfanediyldiethanamine dihydrochloride, molecular formula is C4H14Cl2N2S2, belongs to thiazines compound. In a document, author is Kalirajan, R., introduce the new discover.

Novel Thiazine Substituted 9-Anilinoacridines: Synthesis, Antitumour Activity and Structure Activity Relationships

Background: 9-anilinoacridines are acting as DNA-intercalating agents which plays an important role as antitumor drugs, due to their anti-proliferative properties. Some anticancer agents contain 9-anilinoacridines such as amsacrine (m-AMSA), and nitracrine (Ledakrine) have been already developed. Methods: In this study, novel 9-anilinoacridines substituted with thiazines 4a-r were designed, synthesized, characterized by physical and spectral data and their cytotoxic activities against DLA cell lines were evaluated. Results: Among those compounds, 4b, c, e, g, i, j, k, m, o, p, q, r exhibited significant short term in vitro cytotoxic activity against Daltons lymphoma ascites (DLA) cells with CTC50 value of 0.18 to 0.31 mu M. The compounds 4b, c, e, g, y j, k, m, o, p, q, r are also exhibited significant long term in vitro anti-tumour activity against human tumor cell lines, HEp-2 (laryngeal epithelial carcinoma) by Sulforhodamine B assay with CTC50 value of 0.20 to 0.39 mu M. The compounds 4b, i, j exhibited significant in vivo antitumor activity with % Increase in Life Span (ILS) 48-82%. Conclusion: Results obtained in this study clearly demonstrated that many of the thiazine substituted 9-anilinoacridines exert interesting anti-tumour activity. The compounds 4b, i, j have significant anti-tumour activity and useful drugs after further refinement. The above derivatives will encourage to design future antitumor agents with high therapeutic potentials.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

The Shocking Revelation of C4H14Cl2N2S2

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Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an Australian marine sponge Plakortis Lita

In this work, an attempt was made to propose new leads based on the natural scaffold Thiaplakortone-A active against malaria. The 2D QSAR studies suggested that three descriptors correlate with the anti-malarial activity with an R-2 value of 0.814. Robustness, reliability, and predictive power of the model were tested by internal validation, external validation, Y-scrambling, and applicability domain analysis. HQSAR studies were carried out as an additional tool to find the sub-structural fingerprints. The CoMFA and CoMSIA models gave Q(2) values of 0.813 and 0.647, and http://www.w3.org/1999/ values of 0.994 and 0.984, respectively. Using the 2D-QSAR equation, the activity values of the seven modified compounds were calculated and it was found that three molecules showed good anti-malarial activity. Molecular docking of the 42 Thiaplakortone-A derivatives with Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1) was carried out to find out protein-ligand interactions. Data mining of the bioassay data-set AID: 504850 using the classifier based on Random Forest of Weka suggested that all of the eight molecules selected and three out of the seven virtual molecules were anti-malarial active. Both the virtual molecules and drug molecules were docked with CYP3A4, indicating that the virtual molecules could metabolize easily. Toxicity studies using Osiris shows that three molecules showed no toxic characters.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

What Kind of Chemistry Facts Are We Going to Learn About 2,2′-Disulfanediyldiethanamine dihydrochloride

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EXPERIMENTAL AND THEORETICAL INVESTIGATION OF OPTICAL SPECTRA OF METHYLENE GREEN IN SOLUTIONS

The hybrid multilevel approach based on molecular dynamics, quantum mechanics, and statistical theory has been applied to profiles of electronic absorption bands of a number of thiazine dyes (phenothiazine, methylene blue, and methylene green), whose photochemical and biological properties depend on the external medium. The effect of single fragments of the methylene green (MG) molecule on its spectral-luminescent properties is studied. The most preferred geometry for the MG molecule is identified, and its relations with the spectral properties and the solvent nature are established. The energies of the electron states are calculated, and their nature is revealed. The electrostatic potential is analyzed, and the places of the most probable interaction of the molecule with the medium are found. Conclusions on the mechanism of forming the MG absorption spectrum are made based on the observations and calculations performed within the framework of the present work. It is established that the formation of the N-H bonds leads to the formation of an inactive lower excited singlet state and delocalization of the electron charge upon excitation. The position of the maximum of the long-wavelength absorption band of the MG correlates with the donor number of solvents in the series acetonitrile < water < ethanol < isopropanol < dimethyl sulfoxide. The position of the MG electron transition in the region of 630 nm is determined by the interaction of nitrogen and sulfur atoms of the central ring rather than by the increased number of substituents in the structure of the molecule. I hope this article can help some friends in scientific research. I am very proud of our efforts over the past few months and hope to 56-17-7 help many people in the next few years. SDS of cas: 56-17-7.

Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

Properties and Exciting Facts About C4H14Cl2N2S2

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When developing chemical systems it’s of course important to gain a deep understanding of the chemical reaction process. , Category: thiazines, 56-17-7, Name is 2,2′-Disulfanediyldiethanamine dihydrochloride, molecular formula is C4H14Cl2N2S2, belongs to thiazines compound. In a document, author is Al-Obaidi, Faisal N., introduce the new discover.

Potentiometric and Theoretical Studies of (2Z, 3Z)-2H-benzo[b][1,4]thiazine-2,3(4H)-dionedioxime with Some Divalent Transition Metal Ions

The protonation equilibria of (2Z, 3Z)-2H-benzo[b][1,4]thiazine-2,3(4H)-dionedioxime (BTDH2) together with the equilibria of its bis- binary complexes of Co(II), Ni(II), Cu(II) and Zn(II) were investigated potentiometrically. The investigation was carried out at 25 +/- 0.1 degrees C, in aqueous solution, with a constant ionic strength of 0.100 mol.dm(-3) NaCl. The protonation constants of the ligand together with the stability constants of a variety of complexes were determined potentiometrically in 10 % ethanol-water mixed solution using the SUPERQUAD computer program. Theoretical calculations were set up to assist in understanding the protonation sequence in the ligand molecule via the semi-empirical molecule orbital method of parameterized model number 3. Results are discussed in connection to the basicity of the donor atoms and structural arrangement of the ligand. Although BTDH2 has two dissociable protons, four protonation constants can be measured under the experimental conditions presented. These four protonation constants (as log(10) beta s) are 10.245, 19.397, 22.414 and 25.176.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem

 

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Synthesis, crystal structure, antioxidant activity and dft study of 2-aryl-2,3-dihydro-4H-[1,3]thiazino[3,2-a]benzimidazol-4-One

The compound 2-aryl-2,3-dihydro-4H- [1,3]thiazino[3,2-a]benzimidazol-4-one (C16H12N2OS) (III) was synthesized. The compound crystallized in a monoclinic crystal system with P2(1)/c space group as revealed by mono-crystal X-ray diffraction. The X-ray analysis and density functional theory complementary calculations showed that noncovalent C-H center dot center dot center dot pi interactions between the benzimidazole system and the thiazine ring form a dimerization along the direction of the b axes, additionally pi center dot center dot center dot pi interactions were found between the benzene rings. The C12, in the thiazine ring, has a distortion angle (41.69 degrees) respect to the plane of benzimidazole. The intermolecular interactions in the crystal structure were quantified and analyzed using Hirshfeld surface analysis. The predominant interaction within the crystalline structure was found to be H center dot center dot center dot H interaction. On the other hand, antioxidant activity of the C16H12N2OS system was studied using the DPPH center dot and ABTS center dot(+) assay. Using the energy profile for the reaction of DPPH center dot with III it was demonstrated that the antioxidant activity is carried out through HAT (H12) mechanism where conjugation of the radical can occur between the C12 of the thiazine ring and the aromatic ring, this was confirmed by a H function calculation. The importance of this study focuses on the promising range of biological activities and molecular characteristics of the synthesized compound (III). (C) 2019 Elsevier B.V. All rights reserved.

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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem