Tag: 100-200

Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing published their research in Organic & Biomolecular Chemistry in 2021. The article was titled 《NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides》.Related Products of 614-16-4 The article contains the following contents:

A new three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides was established and an expanded inventory of 3-aryl-4-(arylthio)-1H-pyrazol-5-amines were synthesized by sequential cyclization and sulfenylation reactions under the action of NIS. In addition to the attractive features of multicomponent reactions, the protocol presented broad substrate scope, good functional group tolerance and mild reaction conditions. The utility of this procedure was further established by gram-scale synthesis as well as the diversified transformations of the products to useful compounds After reading the article, we found that the author used 3-Oxo-3-phenylpropanenitrile(cas: 614-16-4Related Products of 614-16-4)

3-Oxo-3-phenylpropanenitrile(cas: 614-16-4) has been used to produce 2-benzoyl-3-furan-2-yl-acrylonitrile. It is an active methylene compound, useful in heterocyclic synthesis, e.g. polyfunctional pyridines and pyrimidines.Related Products of 614-16-4

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In 2014,Yan, Zi-Hong; Huang, Xia-Yun; Wu, Hai-Qiu; Chen, Wen-Xue; He, Qiu-Qin; Chen, Fen-Er; De Clercq, Erik; Pannecouque, Christophe published 《Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors》.Bioorganic & Medicinal Chemistry published the findings.Product Details of 31938-07-5 The information in the text is summarized as follows:

A series of CR2(OH)-diarylpyrimidine derivatives (CR2(OH)-DAPYs) featuring a hydrophobic group at CH(OH) linker between wing I and the central pyrimidine were synthesized and evaluated for their anti-HIV activity in MT-4 cell cultures. All the target compounds except for compound 3k displayed inhibitory activity against HIV-1 wild-type with EC50 values ranging from 7.21 ± 1.99 to 0.067 ± 0.006μM. Among them, compound 3d showed the most potent anti-HIV-1 activity (EC50 = 0.067 ± 0.006μM, SI > 592), which was approx. 2-fold more potent than the reference drugs nevirapine (NVP) and delavirdine (DLV) in the same assay. In addition, the binding modes with HIV-1 RT and the preliminary SAR studies of these new derivatives were also investigated.2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5) was used in this study.

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.Product Details of 31938-07-5

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In 2014,Yan, Zi-Hong; Wu, Hai-Qiu; Chen, Wen-Xue; Wu, Yan; Piao, Hu-Ri; He, Qiu-Qin; Chen, Fen-Er; De Clercq, Erik; Pannecouque, Christophe published 《Synthesis and biological evaluation of CHX-DAPYs as HIV-1 non-nucleoside reverse transcriptase inhibitors》.Bioorganic & Medicinal Chemistry published the findings.Product Details of 31938-07-5 The information in the text is summarized as follows:

A series of new diarylpyrimidines (DAPYs) characterized by a halogen atom on the methylene linker between wing I and the central pyrimidine ring was synthesized and evaluated for their anti-HIV activity in MT-4 cell cultures. The two most promising compounds 7f and 7g showed excellent activity against wild-type HIV-1 with low nanomolar EC50 values of 0.005 and 0.009μM, resp., which were comparable to or more potent than all the reference drugs zidovudine (AZT), lamivudine (3TC), nevirapine (NEV), efavirenz (EFV), delavirdine (DLV) and etravirine (ETV). In particular, 7g also displayed strong activity against the double mutant strain 103N + 181C with an EC50 value of 8.2μM. The preliminary structure-activity relationship (SAR) and mol. docking anal. of this new series of CHX-DAPYs were also investigated. In the part of experimental materials, we found many familiar compounds, such as 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Product Details of 31938-07-5)

According to other reports, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) is used in the preparation of diarylpyrimidines (DAPYs) as HIV-1 non-nucleoside reverse transcriptase inhibitors.Product Details of 31938-07-5

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In 2012,Pesnot, Thomas; Gershater, Markus C.; Ward, John M.; Hailes, Helen C. published 《The Catalytic Potential of Coptis japonica NCS2 Revealed – Development and Utilisation of a Fluorescamine-Based Assay》.Advanced Synthesis & Catalysis published the findings.Synthetic Route of C8H6BrN The information in the text is summarized as follows:

The versatility and potential of a norcoclaurine synthase (NCS) from Coptis japonica NCS2 has been investigated, together with the development and application of a novel fluorescence-based high-throughput assay using nearly forty amines/aldehydes. The stereocontrol exerted by CjNCS2 on selected non-natural substrates has been determined, where the tetrahydroisoquinolines (THIAs) were formed as the (1S)-isomer in >95% ee, as observed with the natural product norcoclaurine. Docking calculations involving THIA mechanism intermediates, utilizing the reported Thalictrum flavum NCS X-ray crystallog. structure, were carried out and combined with the CjNCS2 screening results to further understand the mode of action of NCS. These findings suggested that in addition to the key active-site residues K122 and E110, D141 is also mechanistically essential for the enzymic transformation. The exceptional tolerance of NCS towards aldehyde substrates is furthermore supported by our proposed mechanism in which the aldehydes protrude out of the enzymic pocket. After reading the article, we found that the author used 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Synthetic Route of C8H6BrN)

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione or a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands.Synthetic Route of C8H6BrN

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Ishichi, Yuji; Kimura, Eiji; Honda, Eiji; Yoshikawa, Masato; Nakahata, Takashi; Terao, Yasuko; Suzuki, Atsuko; Kawai, Takayuki; Arakawa, Yuuichi; Ohta, Hiroyuki; Kanzaki, Naoyuki; Nakagawa, Hideyuki; Terauchi, Jun published their research in Bioorganic & Medicinal Chemistry on August 1 ,2013. The article was titled 《Novel triple reuptake inhibitors with low risk of CAD associated liabilities: Design, synthesis and biological activities of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine and related compounds》.Product Details of 658-98-0 The article contains the following contents:

A novel triple reuptake inhibitor with low potential of liabilities associated with cationic amphiphilic drug (CAD) was identified following an anal. of existing drugs. Low mol. weight (MW < ca. 300), low aromatic ring count (number = 1) and reduced lipophilicity (C log P < 3.5) were hypothesized to be key factors to avoid the CAD associated liabilities (CYP2D6 inhibition, hERG inhibition and phospholipidosis). Based on the hypothesis, a series of piperidine compounds was designed with consideration of the common characteristic features of CNS drugs. Optimization of the side chain by adjusting overall lipophilicity suggested that incorporation of a methoxymethyl group could provide compounds with a balance of both potent reuptake inhibition and low liability potential. Compound (S)-I showed a potent antidepressant-like effect in the mice tail suspension test (MED = 10 mg/kg, p.o.), proportional monoamine transporter occupancies and enhancement of monoamine concentrations in mouse prefrontal cortex. In the experiment, the researchers used 3-Chloro-4-fluorophenylacetonitrile(cas: 658-98-0Product Details of 658-98-0)

3-Chloro-4-fluorophenylacetonitrile(cas: 658-98-0) belongs to nitriles. Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Product Details of 658-98-0 Industrially, the main methods for producing nitriles are ammoxidation and hydrocyanation. Both routes are green in the sense that they do not generate stoichiometric amounts of salts.

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《Metal-Free Visible-Light-Promoted Trifluoromethylation of Vinylcyclopropanes Using Pyrylium Salt as a Photoredox Catalyst》 was written by Chandu, Palasetty; Ghosh, Krishna Gopal; Sureshkumar, Devarajulu. Recommanded Product: 614-16-4This research focused onvinylcyclopropane trifluoromethylation pyrylium salt photoredox catalyst. The article conveys some information:

Visible-light-induced metal-free trifluoromethylation of activated, carbocyclic, and unactivated vinylcyclopropanes via a ring-opening reaction using the Langlois reagent (CF3SO2Na) is reported to synthesize allylic trifluoromethylated derivatives Allylic trifluoromethylation was achieved by a photooxidative single electron transfer (SET) process at an ambient temperature and under metal-free conditions and visible-light irradiation using pyrylium salt as a photoredox catalyst. The reported methodol. has an operational simplicity, broad substrate scope, high functional group tolerance, and scalability. In the experimental materials used by the author, we found 3-Oxo-3-phenylpropanenitrile(cas: 614-16-4Recommanded Product: 614-16-4)

3-Oxo-3-phenylpropanenitrile(cas: 614-16-4) has been used in the synthesis of substituted naphtho[1,8-bc]pyrans. It was also used as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.Recommanded Product: 614-16-4

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Recommanded Product: 3-Oxo-3-phenylpropanenitrileIn 2022 ,《Two-Step Construction of Thiophene-Oxazole Dyads with Fluorescent Properties by the Ring Expansion of Aziridines》 was published in Journal of Organic Chemistry. The article was written by Pankova, Alena S.. The article contains the following contents:

A general approach toward 2-thiophenyl substituted oxazoles using aziridination of a double bond of (acyl)alkenyl thiophenes with the subsequent expansion of the aziridine ring is developed. The isolation of intermediate aziridine is not necessary. This expedient protocol covers a broad scope of readily available 2-, 3-, and benzothiophene derivatives, is practical and reliable, requires short reaction times, and is simple to set up and work up reaction mixtures Thiophenyl-oxazoles, obtained by this method, exhibit fluorescence with high quantum yields. In the part of experimental materials, we found many familiar compounds, such as 3-Oxo-3-phenylpropanenitrile(cas: 614-16-4Recommanded Product: 3-Oxo-3-phenylpropanenitrile)

3-Oxo-3-phenylpropanenitrile(cas: 614-16-4) has been used in the synthesis of substituted naphtho[1,8-bc]pyrans. It was also used as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.Recommanded Product: 3-Oxo-3-phenylpropanenitrile

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Recommanded Product: 2-(3-Bromophenyl)acetonitrileIn 2020 ,《Synthesis and Antibacterial and Antifungal Activity of New Thieno[2,3-d]Pyrimidin-4(3H)-One Derivatives》 was published in Pharmaceutical Chemistry Journal. The article was written by Kahveci, B.; Dogan, I. S.; Mentese, E.; Sellitepe, H. E.; Kart, D.. The article contains the following contents:

A series of new 2-(4/3-substitutedbenzyl)thieno[2,3-d]pyrimidin-4(3H)-ones and 2-(4/3-substituted benzyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one derivatives I [R = 4-Me, 3-Me, 4-Cl, 3-Cl, 4-Br, 3-Br; R1 = R2 = H; R1R2 = (CH2)4] were synthesized for the first time by the reaction of corresponding 2-aminothiophene-3-carboxamide derivatives II and appropriate iminoester hydrochlorides RC6H4CH2C(OCH2CH3)=NH.HCl under suitable conditions. In these tests, compounds I [R = 4-Me, 3-Me, 4-Cl, 3-Cl, 4-Br, 3-Br; R1R2 = (CH2)4] showed higher antifungal activity than fluconazole against Candida fungus species. The 2-substituted thieno-[2,3-d]pyrimidin-4(3H)-ones I (R1 = R2 = H) showed better antibacterial activity than 2-substituted 5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one derivatives I [R1R2 = (CH2)4]. In the experiment, the researchers used many compounds, for example, 2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5Recommanded Product: 2-(3-Bromophenyl)acetonitrile)

2-(3-Bromophenyl)acetonitrile(cas: 31938-07-5) has been used in the synthesis of a series of aminoethylbiphenyls, novel 5-HT7 receptor ligands or 2-(1-cyano-1-(3-bromophenyl))methylidene-3-phenylthiazolidine-4,5-dione.Recommanded Product: 2-(3-Bromophenyl)acetonitrile

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Reference of 4-Cyanobenzyl bromideIn 2021 ,《Structure-Based Design of Highly Potent Toll-like Receptor 7/8 Dual Agonists for Cancer Immunotherapy》 appeared in Journal of Medicinal Chemistry. The author of the article were Wang, Zhisong; Gao, Yan; He, Lei; Sun, Shuhao; Xia, Tingting; Hu, Lu; Yao, Licheng; Wang, Liangliang; Li, Dan; Shi, Hui; Liao, Xuebin. The article conveys some information:

Design and synthesis of a series of pyrido[3,2-d]pyrimidine-based toll-like receptor 7/8 dual agonists, e.g., I that exhibited potent and near-equivalent agonistic activities toward TLR7 and TLR8. In vitro, compounds significantly induced the secretion of IFN-α, IFN-γ, TNF-α, IL-1β, IL-12p40, and IP-10 in human peripheral blood mononuclear cell assays. In vivo, compounds significantly suppressed tumor growth in CT26 tumor-bearing mice by remodeling the tumor microenvironment. Addnl., compounds markedly improved the antitumor activity of PD-1/PD-L1 blockade. These results demonstrated that TLR7/8 agonists held great potential as single agents or in combination with PD-1/PD-L1 blockade for cancer immunotherapy.4-Cyanobenzyl bromide(cas: 17201-43-3Reference of 4-Cyanobenzyl bromide) was used in this study.

4-Cyanobenzyl bromide(cas: 17201-43-3) can reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile. And it may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.Reference of 4-Cyanobenzyl bromide

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In 2022,Altan, Orhan published an article in Applied Organometallic Chemistry. The title of the article was 《A rare example of the in-situ formation of palladium nanoparticles: The emergence of catalytically active palladium nanoparticles from Pd (II) phosphine complexes in the Suzuki-Miyaura coupling reaction》.Name: 2-Bromobenzonitrile The author mentioned the following in the article:

Pd (II) complexes of phosphino-benzaldoxime ligands were synthesized, characterized and tested in SMC reactions. Interestingly, it was found that the catalytic activity increased by 11 times when the amount of catalyst was reduced by 10-fold and increased by five times when the amount of catalyst was decreased by 100-fold. The detailed analyses revealed that the palladium nanoparticles (NPs) are responsible for the catalytic activity which was formed in the reaction medium. A plausible mechanism was proposed for the formation of Pd NPs from palladium phosphino-benzaldoxime complexes in the reaction medium. This study is expected to contribute to the debate over whether the catalytic activity of phosphine-palladium complexes in SMC reactions results from a homogeneous or heterogeneous pathway. In the experiment, the researchers used 2-Bromobenzonitrile(cas: 2042-37-7Name: 2-Bromobenzonitrile)

2-Bromobenzonitrile(cas: 2042-37-7) belongs to a group of ortho-substituted bromobenzenes that have varying hepatotoxicity effects in the presence of rat liver microsomes in vitro. 2-Bromobenzonitrile is also used as a starting material to synthesize novel benzothiophene derivatives that were found to exhibit antibacterial and antifungal activity.Name: 2-Bromobenzonitrile

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Nitrile – Wikipedia,
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