Category: 16799-05-6

Ferro, Stefania; Buemi, Maria Rosa; De Luca, Laura; Agharbaoui, Fatima E.; Pannecouque, Christophe; Monforte, Anna-Maria published the artcile< Searching for novel N1-substituted benzimidazol-2-ones as non-nucleoside HIV-1 RT inhibitors>, Product Details of C8H8BrCl, the main research area is benzimidazolone synthesis HIV1 reverse transcriptase inhibitor; Benzimidazolones; Design; RTs mutant; Reverse transcriptase inhibitors; Synthesis.

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) represent an integral part of the currently available combination antiretroviral therapy (cART) contributing to reduce the AIDS-mortality and turned the disease from lethal to chronic. In this context we recently reported a series of 6-chloro-1-(3-methylphenylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-ones as potent non-nucleoside HIV-1 reverse transcriptase inhibitors. In this paper, we describe the design and the synthesis of two novel series of benzimidazolone analogs in which the linker moiety between the Ph ring and the sulfonyl group was modified and new small lipophilic groups on the benzyl sulfonyl pendant were introduced. All the new obtained compounds were evaluated as RT inhibitors and were also tested against RTs containing single amino acid mutations. Finally, mol. docking studies were performed in order to rationalize the observed activity of the most promising compound

Bioorganic & Medicinal Chemistry published new progress about Anti-HIV agents. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Product Details of C8H8BrCl.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Bradley, D. C.; Prevedorou-Demas, C. published the artcile< Metal oxide trialkylsilyl oxide polymers. II. Zirconium oxide trimethylsilyl oxide polymers>, Synthetic Route of 16799-05-6, the main research area is .

The partial hydrolysis of tetrakis(trimethylsilyloxy)zirconium in dioxane has been studied. Solid polymeric [ZrOx(OSiMe3)4-2x]n, which were soluble in organic solvents, were obtained. The variation of the number average degree of polymerization, n, as a function of the degree of hydrolysis, x, was analyzed in terms of structural models. At 150° in vacuo, the polymers disproportionated to tetrakis(trimethylsilyloxy)zirconium and more highly condensed polymers [ZrOy(OSiMe3)(4-2y)]m, where y > x, and m > n.

Journal of the Chemical Society published new progress about Hydrolysis. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Synthetic Route of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Emert-Sedlak, Lori A.; Loughran, H. Marie; Shi, Haibin; Kulp, John L. III; Shu, Sherry T.; Zhao, Jielu; Day, Billy W.; Wrobel, Jay E.; Reitz, Allen B.; Smithgall, Thomas E. published the artcile< Synthesis and evaluation of orally active small molecule HIV-1 Nef antagonists>, SDS of cas: 16799-05-6, the main research area is antiviral HIV AIDS Nef antagonist; Antiretroviral drug discovery; HIV Nef; HIV-1; Nef inhibitors.

The HIV-1 Nef accessory factor enhances viral replication and promotes immune system evasion of HIV-infected cells, making it an attractive target for drug discovery. Recently the authors described a novel class of diphenylpyrazolodiazene compounds that bind directly to Nef in vitro and inhibit Nef-dependent HIV-1 infectivity and replication in cell culture. However, these first-generation Nef antagonists have several structural liabilities, including an azo linkage that led to poor oral bioavailability. The azo group was therefore replaced with either a one- or two-carbon linker. The resulting set of nonazo analogs retained nanomolar binding affinity for Nef by surface plasmon resonance, while inhibiting HIV-1 replication with micromolar potency in cell-based assays without cytotoxicity. Computational docking studies show that these nonazo analogs occupy the same predicted binding site within the HIV-1 Nef dimer interface as the original azo compound Computational methods also identified a hot spot for inhibitor binding within this site that is defined by conserved HIV-1 Nef residues Asp108, Leu112, and Pro122. Pharmacokinetic evaluation of the nonazo B9 analogs in mice showed that replacement of the azo linkage dramatically enhanced oral bioavailability without substantially affecting plasma half-life or clearance. The improved oral bioavailability of nonazo diphenylpyrazolo Nef antagonists provides a starting point for further drug lead optimization in support of future efficacy testing in animal models of HIV/AIDS.

Bioorganic & Medicinal Chemistry Letters published new progress about AIDS (disease). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, SDS of cas: 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Weibel, Peter A.; Hesse, Manfred published the artcile< Mass spectrometric behavior of nitrogen-containing compounds. 19. Substituent effect on mass spectrometric fragmentation. N-methylβ,β'-diphenyldiethylamines>, Reference of 16799-05-6, the main research area is mass spectra diphenethylamine; amine diphenethyl mass spectra.

The mass spectra of the title amines (I; R = H, p-NO2, m-NH2, p-F, m-OMe, etc.), prepared from N-methylphenethylamine reaction with RC6H4CH2CH2Br (R same as above) were examined The main mass spectral fragmentation mechanisms were discussed.

Helvetica Chimica Acta published new progress about Amines Role: PRP (Properties). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Reference of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Suzuki, Takayoshi; Khan, Mohammed Naseer Ahmed; Sawada, Hideyuki; Imai, Erika; Itoh, Yukihiro; Yamatsuta, Katsura; Tokuda, Natsuko; Takeuchi, Jun; Seko, Takuya; Nakagawa, Hidehiko; Miyata, Naoki published the artcile< Design, Synthesis, and Biological Activity of a Novel Series of Human Sirtuin-2-Selective Inhibitors>, COA of Formula: C8H8BrCl, the main research area is anilinobenzamide preparation selective sirtuin inhibitor; phenethyloxyanilinobenzamide preparation selective inhibition SIRT2; structure anilinobenzamide inhibition selectivity human sirtuin isoform.

Anilinobenzamides such as I [R = H, PhNHCO, PhNMeCO, PhCH2NHCO, PhCH2NMeCO, PhCH2CONH, PhCH2CONMe, cyclohexylmethoxy, Me2CHCH2O, PhCH2O, PhCH2CH2O, R2CH2CH2O, PhCH2CH2CH2O; R2 = 2-MeC6H4, 3-MeC6H4, 4-MeC6H4, 2-F3CC6H4, 3-F3CC6H4, 4-F3CC6H4, 2-FC6H4, 3-FC6H4, 4-FC6H4, 2-ClC6H4, 3-ClC6H4, 4-ClC6H4, 2-BrC6H4, 3-BrC6H4, 4-BrC6H4; R1 = H, (E)-PhCH:CH, (Z)-PhCH:CH, PhCH2CH2, PhNMeCO, PhNHCO, PhCONMe, PhCONH, R3CONH; R3 = Me, Me2CH, cyclohexyl, 4-piperidinyl, 2-pyridinyl, 3-pyridinyl, 4-pyridinyl] were prepared as selective inhibitors of human sirtuin 2 (SIRT2), a deacetylase with potential involvement in neurodegenerative diseases such as Parkinson’s and Huntington’s diseases. In particular, phenethyloxyanilinobenzamides such as I (R = R2CH2CH2O; R1 = H; R2 = Ph, 3-FC6H4) were potent and selective SIRT2 inhibitors, with 3.5-fold greater SIRT2 inhibition and more than 35-fold greater selectivity for SIRT2 over SIRT1 and SIRT3 than the previously known dichlorophenylfuranylpropenamide SIRT2 inhibitor AGK2. I (R = PhCH2CH2; R1 = H) dose-dependently inhibited SIRT2 in human colon cancer HCT116 cells.

Journal of Medicinal Chemistry published new progress about Aromatic amides Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, COA of Formula: C8H8BrCl.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Molchanov, A. P.; Pecheritsyna, Ya. P.; Kostikov, R. R. published the artcile< Synthesis and thermal transformations of adducts of dihalocarbenes with cyclopentadiene and spiro[2.4]hepta-4,6-diene dimers>, Safety of 3-Chlorophenethyl Bromide, the main research area is cyclopentadiene dimer cyclopropanation dihalocarbene; spiroheptadiene dimer cyclopropanation dihalocarbene; tetracycloundecene dihalo preparation thermolysis; cyclopropanespirotetracycloundecenespirocyclopropane dihalo preparation thermolysis.

Reaction of the title dimers with CHCl3 or with CHBrXY (X = Y = Br; X, Y = Cl, Br; X = F, Y = Br) in hexane containing KOCMe3 gave 12-33% cyclopropanated adducts I and II (X = Y = Cl, Br; X = Y = Cl, Br; X = F, Y = Br). Thermal decomposition of I gave tricyclic dihalo compounds III via ring cleavage, whereas II gave 62-73% 3-XC6H4CH2CH2Y by a retro-Diels-Alder route.

Zhurnal Organicheskoi Khimii published new progress about Cyclopropanation. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Safety of 3-Chlorophenethyl Bromide.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Warner, Andrew J.; Lawson, James R.; Fasano, Valerio; Ingleson, Michael J. published the artcile< Formation of C(sp2)-boronate esters by borylative cyclization of alkynes using BCl3>, Quality Control of 16799-05-6, the main research area is cyclization borylative alkyne aryl boron trichloride preparation cyclic alkenylboronate; fluorenyl azafluorenyl boronate preparation dipropargyl compound cyclization boron trichloride; intramol borylation arylalkyne arene boron trichloride preparation diaryl vinylboronate; alkynes; boron; cyclizations; heterocycles; synthetic methods.

Arylpropargyl compounds R1C6H4YCH2CCR2 undergo cyclization in a reaction with BCl3 and pinacol, yielding cyclic alkenylboronates I (2, R1 = H, Me, MeO, Cl; Y = CH2, NTs, O; R2 = Ph, ClC6H4, C6F5, 3-CF3C6H4, 4-NCC6H4, MeC6H4, Br, Me, 1-naphthyl, PhCH:CH, 4-NO2C6H4, 4-EtO2CC6H4). Diynes R3CCCH2YCH2CCR3 gave boronates II (R3 = Ph, 10a,b; Y = CH2, NTs) or III (11, R3 = H, Y = CH2). BCl3 is an inexpensive electrophile which induces the borylative cyclization of a wide range of substituted alkynes to regioselectively form polycycles containing synthetically versatile C(sp2)-boronate esters. It proceeds rapidly, with good yields and is compatible with a range of functional groups and substitution patterns. Intermol. 1,2-carboboration of alkynes Ar1CCMe is also achieved using BCl3 and arene Ar2H to generate trisubstituted vinyl boronate esters Ar1Ar2C:CMe(Bpin) (12, Ar1 = Ph, Ar2 = 5-methyl-2-thienyl).

Angewandte Chemie, International Edition published new progress about Alkynes, aryl Role: RCT (Reactant), RACT (Reactant or Reagent). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Quality Control of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhou, Lu; Zhu, Chuan; Bi, Peijia; Feng, Chao published the artcile< Ni-catalyzed migratory fluoro-alkenylation of unactivated alkyl bromides with gem-difluoroalkenes>, Recommanded Product: 3-Chlorophenethyl Bromide, the main research area is aralkyl bromide aryl difluoroalkene nickel catalyst stereoselective regioselective fluoroalkenylation; diaryl fluoroalkene preparation.

Nickel-catalyzed highly regio- and stereoselective migratory fluoro-alkenylation of unactivated alkyl bromides was reported. Catalytic cycle merged alkyl nickel chain-walking and defluorinative coupling enabled the introduction of a broad array of fluoroalkenyl moieties into carbon chains. Control experiments with other halogenated alkenes demonstrated the essential role of fluorine atoms in this reaction. The reaction proceeded under mild conditions and allowed for the synthesis of a variety of valuable monofluoroalkenes.

Chemical Science published new progress about Alkenylation catalysts, stereoselective. 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Recommanded Product: 3-Chlorophenethyl Bromide.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dukat, Ma-lgorzata; Abdel-Rahman, Ashraf A.; Ismaiel, Abd M.; Ingher, Stacy; Teitler, Milt; Gyermek, Lazlo; Glennon, Richard A. published the artcile< Structure-Activity Relationships for the Binding of Arylpiperazines and Arylbiguanides at 5-HT3 Serotonin Receptors>, Quality Control of 16799-05-6, the main research area is arylpiperazine arylbiguanide preparation serotonin receptor binding.

Arylpiperazines are nonselective agents that bind at 5-HT3 serotonin receptors with moderate to high affinity, whereas 1-phenylbiguanide is a low-affinity but more selective 5-HT3 agonist. In an attempt to enhance the affinity of the latter agent, and working with the assumption that similarities might exist between the binding of the two types of agents, we formulated structure-activity relationships for the binding of the arylpiperazines and then incorporated those substituents, leading to high affinity for the arylpiperazines, into 1-phenylbiguanide. A subsequent investigation examined the structure-activity relationships of the arylbiguanides and identified arylguanidines as a novel class of 5-HT3 ligands. Although curious similarities exist between the structure-activity relationships of the arylpiperazines, arylbiguanides, and arylguanidines, it cannot be concluded that all three series of compounds are binding in the same manner. Furthermore, upon investigating pairs of compounds in the three series, the arylpiperazines behaved as 5-HT3 antagonists (von Bezold-Jarisch assay) whereas the arylbiguanides and arylguanidines acted as 5-HT3 agonists.

Journal of Medicinal Chemistry published new progress about 5-HT3 receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 16799-05-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C8H8BrCl, Quality Control of 16799-05-6.

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 16799-05-6 as follows. Product Details of 16799-05-6

The reaction bottle by adding 0.5 millimoles of 2 – phenyl indole, 1.0 mmol 3 – chlorobenzene ethyl alkyne bromine, 3 mmol (6 equiv) potassium hydroxide, 5 muM % (0.025mmol) Pd (OAc)2, 15 muM % (0.075mmol) PCy3, 1.5 ml of N, N – dimethyl formamide, under nitrogen conditions, 130 C stirring for 18 hours, stop heating and stirring, cooled to the room temperature, distilled under reduced pressure to get the crude product, through the column chromatography separation and purification, to obtain the target product, the used column chromatography eluant is petroleum ether, yield 65%. This embodiment of the obtained product hydrogen spectrogram and carbon spectrogram as shown in Figure 11, Figure 12 is shown

According to the analysis of related databases, 16799-05-6, the application of this compound in the production field has become more and more popular.

Reference:
Patent; South China University of Technology; Wu Wanqing; An Yanni; Li Jianxiao; Jiang Huanfeng; (16 pag.)CN106866664; (2017); A;,
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics