Category: 72364-46-6

Trifilenkov, A. S.; Il’in, A. P.; Kravchenko, D. V.; Dorogov, M. V.; Tkachenko, S. E.; Ivashchenko, A. V. published an article in 2005, the title of the article was Liquid-phase parallel synthesis of 4-sulfanylbenzoic acid derivatives.Electric Literature of 72364-46-6 And the article contains the following content:

Combinatorial libraries of substituted 4-sulfanylbenzamides and their derivatives were synthesized on the basis of 4-fluoro-3-nitrobenzoic acid. The procedure for nucleophilic substitution of fluorine by various thiols has been developed; the resulting 4-sulfenyl-3-nitrobenzoic acids were further converted into the corresponding esters and amides. Oxidation of the sulfide fragment with hydrogen peroxide afforded the corresponding sulfones. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Electric Literature of 72364-46-6

The Article related to benzamide sulfenyl sulfonyl combinatorial synthesis, benzoate sulfenyl sulfonyl combinatorial synthesis, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Amides, Amidines, Imidic Esters, Hydrazides, and Hydrazonic Esters and other aspects.Electric Literature of 72364-46-6

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Yang, Wu; Li, Yingzi; Zhu, Jiefeng; Liu, Wentan; Ke, Jie; He, Chuan published an article in 2020, the title of the article was Lewis acid-assisted Ir(III) reductive elimination enables construction of seven-membered-ring sulfoxides.HPLC of Formula: 72364-46-6 And the article contains the following content:

Iridium has played an important role in the evolution of C-H activation chem. over the last half century owing to its high reactivity towards stoichiometric C-H bond cleavage; however, the use of Ir(III) complexes in catalytic C-H functionalization/C-C bond formation appears to have fallen off significantly. The main problem lies in the reductive elimination step, as iridium has a tendency to form stable and catalytically inactive Ir(III) species. Herein, with a rationally designed Lewis acid assisted oxidatively induced strategy, the sluggish Ir(III) reductive elimination is successfully facilitated, enabling the facile C-C bond formation. The X-ray crystal structure of a silver salt adduct of iridacycle and DFT calculations demonstrate that the sulfoxide group acts as a key bridge connecting the Ir(III) metal center with the silver Lewis acid, which facilitates the reductive elimination of the Ir(III) metallacycle. Further identification of oxidants was carried out by performing stoichiometric reactions, which enables the development of catalytic construction of various highly functionalized seven-membered-ring sulfoxides e.g., 5,7-dihydrodibenzo[c,e]thiepine 6-oxide, that are of great interest in medicinal chem. and materials science. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).HPLC of Formula: 72364-46-6

The Article related to dihydrodibenzothiepine oxide preparation chemoselective regioselective density functional theory, aralkyl sulfoxide oxidative reductive elimination lewis acid iridium catalyst and other aspects.HPLC of Formula: 72364-46-6

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On January 19, 2022, Rozsar, Daniel; Formica, Michele; Yamazaki, Ken; Hamlin, Trevor A.; Dixon, Darren J. published an article.Formula: C7H7FS The title of the article was Bifunctional Iminophosphorane Catalyzed Enantioselective Sulfa-Michael Addition to Unactivated α,β-Unsaturated Amides. And the article contained the following:

The first metal-free catalytic intermol. enantioselective Michael addition to unactivated α,β-unsaturated amides was described. Consistently high enantiomeric excesses and yields were obtained over a wide range of alkyl thiol pronucleophiles and electrophiles under mild reaction conditions, enabled by a novel squaramide-based bifunctional iminophosphorane (BIMP) catalyst. Low catalyst loadings (2.0 mol %) were achieved on a decagram scale, demonstrating the scalability of the reaction. Computational anal. revealed the origin of the high enantiofacial selectivity via anal. of relevant transition structures and provided substantial support for specific noncovalent activation of the carbonyl group of the α,β-unsaturated amide by the catalyst. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Formula: C7H7FS

The Article related to bifunctional iminophosphorane catalyst preparation potential energy surface, unsaturated amide thiol iminophosphorane catalyst enantioselective michael addition, thioamide preparation and other aspects.Formula: C7H7FS

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On May 8, 2003, Minich, Martha Lou; Rast, Bryson; Sakya, Subas Man; Sahvnya, Andrei published a patent.Computed Properties of 72364-46-6 The title of the patent was An efficient synthesis of 1-[sulfonylphenyl(or pyridyl)] pyrazoles as COX-2 inhibitors. And the patent contained the following:

The title compounds [I; the ring of the formula (R5)-A-(SOmR4) = II-VIII; m = 0-2; X = CR5, N; R1 = H, NO2, CN, etc.; R2 = H, NO2, CN, etc.; R3 = NR6NR7R8, NR6OR7, OR7, SR7, NR7R8 (wherein R6 = H, alkyl, alkenyl, etc.; or R6 and R7 may optionally taken together with the N atom or O atom to which they are attached to form 3-8 membered heterocyclyl ring; R8 = H, alkyl, alkenyl, etc.; or NR7R8 = 3-8 membered heterocyclyl); R4 = NH2, mono- and dialkylamino, etc.; R5 = H, halo, OH, etc.], useful as antiinflammatory/analgesic agents, were prepared by reacting a compound IX [the ring of the formula (R5)-A-(SOmR4), m, R1-R8 are as defined above and R10 = halo, alkylSO3, arylSO3, alkylSO2, arylSO2; wherein each of said alkyl components may optionally be substituted on any carbon atom by 1-6 fluoro substituents per alkyl component] with a compound R3H [R3 is as defined above] in the presence of a fluoride containing salt and in the presence of a solvent. Thus, reacting 5-chloro-1-(5-methanesulfonylpyridin-2-yl)-3-trifluoromethyl-1H-pyrazole-4-carbonitrile with (4-methylenecyclohexyl)methanol in the presence of KF in DMSO afforded 68% the pyrazole X. Most compounds prepared in Examples showed IC50 values of 0.001 μM to 3 μM with respect to inhibition of COX-2 in either the canine or human assays. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Computed Properties of 72364-46-6

The Article related to sulfonylphenylpyrazole sulfonylpyridylpyrazole preparation cyclooxygenase cox2 inhibitor, pyrazole sulfonylphenyl sulfonylpyridyl preparation cyclooxygenase cox2 inhibitor antiinflammatory analgesic and other aspects.Computed Properties of 72364-46-6

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On March 15, 2010, Reddy, M. V. Ramana; Pallela, Venkat R.; Cosenza, Stephen C.; Mallireddigari, Muralidhar R.; Patti, Revathi; Bonagura, Marie; Truongcao, May; Akula, Balaiah; Jatiani, Shashidhar S.; Reddy, E. Premkumar published an article.Category: alcohols-buliding-blocks The title of the article was Design, synthesis and evaluation of (E)-α-benzylthio chalcones as novel inhibitors of BCR-ABL kinase. And the article contained the following:

(E)-α-benzylthio and α-benzylsulfonyl chalcones such as I, an (E)-α-benzylsulfinyl chalcone, and an (E)-arylthiochalcone are prepared as inhibitors of the BCR-ABL kinase for potential use as antitumor agents; some of the chalcones act as inhibitors of BCR-ABL phosphorylation in leukemic K562 cells, known to express high levels of BCR-ABL, and in some cases show comparable cancer cell inhibition to the antitumor agent imatinib. The chalcones are prepared in two or three steps from α-bromoacetophenones, aryl or benzyl thiols, and aryl aldehydes by substitution of the α-bromoacetophenones with thiols followed by stereoselective aldol condensation of the benzylthioacetophenones with aryl aldehydes (with oxidation occurring, if necessary, before aldol condensation). Data for the inhibition of human leukemia and prostate cancer cells by approx. 500 related chalcones is provided. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Category: alcohols-buliding-blocks

The Article related to benzylthio benzylsulfinyl benzylsulfonyl chalcone stereoselective preparation kinase inhibitor, inhibition bcr abl kinase structure benzylthio benzylsulfinyl benzylsulfonyl chalcone, antitumor activity benzylthio benzylsulfinyl benzylsulfonyl chalcone and other aspects.Category: alcohols-buliding-blocks

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On December 31, 2013, Bolden, Sidney Jr.; Zhu, Xue Y.; Etukala, Jagan R.; Boateng, Comfort; Mazu, Tryphon; Flores-Rozas, Hernan; Jacob, Melissa R.; Khan, Shabana I.; Walker, Larry A.; Ablordeppey, Seth Y. published an article.SDS of cas: 72364-46-6 The title of the article was Structure-activity relationship (SAR) and preliminary mode of action studies of 3-substituted benzylthioquinolinium iodide as anti-opportunistic infection agents. And the article contained the following:

Opportunistic infections are devastating to immunocompromised patients. And in especially sub-Saharan Africa where the AIDS epidemic is still raging, the mortality rate was recently as high as 70%. The paucity of anti-opportunistic drugs, the decreasing efficacy and the development of resistance against the azoles and even amphotericin B have stimulated the search for new drugs with new mechanisms of action. In a previous work, we showed that a new chemotype derived from the natural product cryptolepine displayed selective toxicity against opportunistic pathogens with minimal cytotoxicity to normal cells. In this manuscript, we report the design and synthesis of substituted benzylthioquinolinium iodides, evaluated their anti-infective properties and formulated some initial structure-activity relationships around Ph ring A from the original natural product. The sensitivity of the most potent analog 10l, to selected strains of C. cerevisiae was also evaluated leading to the observation that this scaffold may have a different mode of action from its predecessor, cryptolepine. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).SDS of cas: 72364-46-6

The Article related to benzylthioquinolinium analog preparation sar antiinfective antifungal antibacterial, anti-opportunistic infections, antifungal agents, benzylthioquinolinium iodides, craig plot, cryptolepine, structure–activity relationships, substituted quinolinium salts and other aspects.SDS of cas: 72364-46-6

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On April 8, 2004, Yadav, Vikas; Chu, Chung K.; Rais, Reem H.; Al Safarjalani, Omar N.; Guarcello, Vincenzo; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published an article.SDS of cas: 72364-46-6 The title of the article was Synthesis, Biological Activity and Molecular Modeling of 6-Benzylthioinosine Analogs as Subversive Substrates of Toxoplasma gondii Adenosine Kinase. And the article contained the following:

Toxoplasma gondii is the most common cause of secondary CNS infections in immuno-compromised persons such as AIDS patients. The major route of adenosine metabolism in T. gondii is direct phosphorylation to AMP (AMP) catalyzed by the enzyme adenosine kinase (EC 2.7.1.20). Adenosine kinase in T. gondii is significantly more active than any other purine salvage enzyme in this parasite and has been established as a potential chemotherapeutic target for the treatment of toxoplasmosis. Subversive substrates of T. gondii, but not the human, adenosine kinase are preferentially metabolized to their mono-phosphorylated forms and become selectively toxic to the parasites but not their host. 6-Benzylthioinosine (BTI) was identified as an excellent subversive substrate of T. gondii adenosine kinase. Herein, we report the synthesis of new analogs of BTI, e.g. I, as subversive substrates for T. gondii adenosine kinase. These new subversive substrates were synthesized starting from tri-benzoyl protected D-ribose. To accomplish the lead optimization process, a divergent and focused combinatorial library was synthesized using a polymer-supported trityl group at the 5′-position. The combinatorial library of 20 compounds gave several compounds more active than BTI. Structure-activity relationship studies showed that substitution at the para-position plays a crucial role. To investigate the reasons for this discrimination, substrates with different substituents at the para position were studied by mol. modeling using Monte Carlo Conformational Search followed by energy minimization of the enzyme-ligand complex. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).SDS of cas: 72364-46-6

The Article related to combinatorial library benzylthioinosine substrate adenosine kinase synthesis parasiticide human, structure activity benzylthioinosine substrate adenosine kinase synthesis conformation, mol modeling benzylthioinosine nucleoside synthesis adenosine kinase substrate and other aspects.SDS of cas: 72364-46-6

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On June 13, 1979, Ong, Helen Hu; Anderson, Vernon Brian; Profitt, James Arthur published a patent.Name: (2-Fluorophenyl)methanethiol The title of the patent was Substituted 1,3-dihydrospirobenzo[c]thiophenes. And the patent contained the following:

Antidepressant spirobenzothiophenes I (R = optionally substituted Ph; R1 = H, alkyl, alkoxy, CF3, Cl, Br, F, OH, OCH2O, alkylthio; R2 = H, OH, acyloxy, optionally substituted alkyl; m, n = 1-3; m + n = 3,4) were prepared Thus, 2-BrC6H4F (in THF containing BuLi) was treated with 1-methyl-4-piperidinone to give II (R3 = OH), which was treated with PhCH2SH to give II (R3 = SCH2Ph). The latter compound was cyclized with NaH-Me2SO to give III which had a ED50 of 2.8 mg/kg i.p. in mice against tetrabenazine-induced ptosis. I also have tranquilizing activity of 0.1-50 mg/kg in the Sidman avoidance paradigim test. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Name: (2-Fluorophenyl)methanethiol

The Article related to spirobenzothiophenepiperidine preparation antidepressant, antidepressant spirobenzothiophenepiperidine, tranquilizer spirobenzothiophenepiperidine, benzothiophene spiropiperidine preparation antidepressant, piperidine spirobenzothiophene preparation antidepressant and other aspects.Name: (2-Fluorophenyl)methanethiol

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On October 11, 1983, Ong, Helen H.; Anderson, Vernon B.; Profitt, James A. published a patent.HPLC of Formula: 72364-46-6 The title of the patent was Antidepressive and tranquilizing substituted 1,3-dihydrospiro(benzo[c]thiophene)s. And the patent contained the following:

Title compounds I [R = H, (un)substituted alkyl, alkenyl; R1-R3 = H, alkyl, alkoxy, F3C, Cl, Br, F, HO, alkylthio; R1R2, R2R3 = OCH2O; R4 = (un)substituted Ph; n, n1 = 1-3, n + n1 = 3 or 4] were prepared Thus 2-BrC6H4F was lithiated and treated with N-methylpiperidone II (R5R6 = O) to give II (R5 = OH, R6 = C6H4F-2). The last was treated with PhCH2SH, giving II (R5 = SCH2Ph, R6 = C6H4F-2) which was cyclized to give spiro(benzo[c]thiophene-1,4′-piperidine) III (R7 = Ph). At 50 mg/kg i.p. in mice, III (R7 = C6H4Me-4) had anticholinergic activity, giving 40% survival following i.p. injection with 2.5 mL/kg physostigmine sulfate. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).HPLC of Formula: 72364-46-6

The Article related to spirobenzothiophenepiperidine preparation anticholinergic antidepressant tranquilizer, benzothiophenepiperidine spiro anticholinergic preparation, thiophenepiperidine spirobenzo anticholinergic preparation, piperidine spirobenzothiophene anticholinergic preparation and other aspects.HPLC of Formula: 72364-46-6

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On July 10, 2008, Kim, Young Ah; Sharon, Ashoke; Chu, Chung K.; Rais, Reem H.; Al Safarjalani, Omar N.; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published an article.Recommanded Product: 72364-46-6 The title of the article was Structure-Activity Relationships of 7-Deaza-6-benzylthioinosine Analogues as Ligands of Toxoplasma gondii Adenosine Kinase. And the article contained the following:

Several 7-deaza-6-benzylthioinosine analogs with varied substituents on aromatic ring were synthesized and evaluated against Toxoplasma gondii adenosine kinase (EC.2.7.1.20). Structure-activity relationships indicated that the nitrogen atom at the 7-position does not appear to be a critical structural requirement. Mol. modeling reveals that the 7-deazapurine motif provided flexibility to the 6-benzylthio group as a result of the absence of H-bonding between N7 and Thr140. This flexibility allowed better fitting of the 6-benzylthio group into the hydrophobic pocket of the enzyme at the 6-position. In general, single substitutions at the para or meta position enhanced binding. On the other hand, single substitutions at the ortho position led to the loss of binding affinity. The most potent compounds, 7-deaza-p-cyano-6-benzylthioinosine I (R = CN) (IC50 = 5.3 μM) and 7-deaza-p-methoxy-6-benzylthioinosine I (R = OCH3) (IC50 = 4.6 μM), were evaluated in cell culture to delineate their selective toxicity. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Recommanded Product: 72364-46-6

The Article related to deazabenzylthioinosine nucleoside asym preparation, ribose stereoselective glycosylation benzylthiol benzylhalide nucleophilic substitution, toxoplasma gondii adenosine kinase binding affinity structure activity relationship, mol modeling toxoplasmosis antitoxoplasmic antiparasitic human and other aspects.Recommanded Product: 72364-46-6

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