Category: 939-99-1

Dai, Ali published the artcileA 1,3,4-Oxadiazole Contained Sesquiterpene Derivatives: Synthesis and Microbiocidal Activity for Plant Disease, Category: chlorides-buliding-blocks, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2022), 854274, database is CAplus and MEDLINE.

A series of 1,3,4-oxadiazole contained sesquiterpene derivatives were synthesized, and the activity of the target compounds against Xanthomonas oryzae pv. oryzae (Xoo), Xanthomonas axonopodis pv. citri (Xac), and tobacco mosaic virus (TMV) were evaluated. The biol. activity results showed that the EC₅₀ values of compounds H4, H8, H11, H12, H14, H16, and H19 for Xac inhibitory activity were 33.3, 42.7, 56.1, 74.5, 37.8, 43.8, and 38.4 μg/mL, resp. Compounds H4, H8, H15, H19, H22, and H23 had inhibitory effects on Xoo, with EC₅₀ values of 51.0, 43.3, 43.4, 50.5, 74.6, and 51.4 μg/mL, resp. In particular, the curative and protective activities of compound H8 against Xoo in vivo were 51.9 and 49.3%, resp. In addition, the EC₅₀ values of the inactivation activity of compounds H4, H5, H9, H10, and H16 against TMV were 69.6, 58.9, 69.4, 43.9, and 60.5 μg/mL, resp. The results of mol. docking indicated that compound H10 exhibited a strong affinity for TMV-coat protein, with a binding energy of -8.88 kcal/mol. It may inhibit the self-assembly and replication of TMV particles and have an anti-TMV effect, which supports its potential usefulness as an antiviral agent.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Shuai published the artcileDevelopment of Highly Potent, Selective, and Cellular Active Triazolo[1,5-a]pyrimidine-Based Inhibitors Targeting the DCN1-UBC12 Protein-Protein Interaction, HPLC of Formula: 939-99-1, the publication is Journal of Medicinal Chemistry (2019), 62(5), 2772-2797, database is CAplus and MEDLINE.

The cullin-RING ubiquitin ligases (CRLs) are responsible for about 20% of cellular protein degradation and regulate diverse cellular processes, and the dysfunction of CRLs is implicated in human diseases. Targeting the CRLs has become an emerging strategy for the treatment of human diseases. Herein, we describe the discovery of a hit compound from our inhouse library and further structure-based optimizations, which have enabled the identification of new triazolo[1,5-a]pyrimidine-based inhibitors targeting the DCN1-UBC12 interaction. Compound WS-383 blocks the DCN1-UBC12 interaction (IC₅₀ = 11 nM) reversibly and shows selectivity over selected kinases. WS-383 exhibits cellular target engagement to DCN1 in MGC-803 cells. WS-383 inhibits Cul3/1 neddylation selectively over other cullins and also induces accumulation of p21, p27, and NRF2. Collectively, targeting the DCN1-UBC12 interaction would be a viable strategy for selective neddylation inhibition of Cul3/1 and may be of therapeutic potential for disease treatment in which Cul3/1 is dysregulated.

Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C15H16O3, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Zhu, Feng published the artcileCatalytic and Photochemical Strategies to Stabilized Radicals Based on Anomeric Nucleophiles, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Journal of the American Chemical Society (2020), 142(25), 11102-11113, database is CAplus and MEDLINE.

Carbohydrates, one of the three primary macromols. of living organisms, play significant roles in various biol. processes such as intercellular communication, cell recognition, and immune activity. While the majority of established methods for the installation of carbohydrates through the anomeric carbon rely on nucleophilic displacement, anomeric radicals represent an attractive alternative because of their functional group compatibility and high anomeric selectivities. Herein, we demonstrate that anomeric nucleophiles such as C1 stannanes can be converted into anomeric radicals by merging Cu(I)-catalysis with blue light irradiation to achieve highly stereoselective C(sp3)-S cross-coupling reactions. Mechanistic studies and DFT calculations revealed that the C-S bond-forming step occurs via the transfer of the anomeric radical directly to a sulfur electrophile bound to Cu(II) species. This pathway complements a radical chain observed for metal-free conditions where a disulfide initiator can be activated by a Lewis base additive. Both strategies utilize anomeric nucleophiles as efficient radical donors and achieve a switch from an ionic to a radical pathway. Taken together, the stability of glycosyl nucleophiles, a broad substrate scope, and high anomeric selectivities observed for the thermal and photochem. protocols make this novel C-S cross-coupling a practical tool for late-stage glyco-diversification of bioactive natural products and drug candidates.

Journal of the American Chemical Society published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H5BN2O2, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Nan, Xiang published the artcileDesign, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction, Synthetic Route of 939-99-1, the publication is European Journal of Medicinal Chemistry (2020), 112470, database is CAplus and MEDLINE.

A series of new N-sulfonylamidine derivatives were designed, synthesized via Cu-catalyzed multicomponent reaction (MCR) as the key step, and evaluated for their in vitro biol. activities against c-Met kinase and four cancer cell lines (A549, HT-29, MKN-45 and MDA-MB-231). Most of the target compounds showed moderate to significant potency at enzyme and cell-based assay. The preliminary SAR studies demonstrated that compound I (c-Met IC₅₀ = 2.89 nM) was the most promising compound compared with the pos. foretinib, which exhibited the remarkable antiproliferative activities, with IC₅₀ values ranging from 0.28 to 0.72μM. Mechanistic studies of compound I showed the anticancer activity was closely related to the blocking phosphorylation of c-Met, leading to cell cycle arresting at G2/M phase and apoptosis of A549 cells by a concentration-dependent manner. The promising compound I was further identified as a relatively selective inhibitor of c-Met kinase, which also possessed an acceptable safety profile and favorable pharmacokinetic properties in BALB/c mouse. The favorable drug-likeness of I suggested that N-sulfonylamidines may be used as a promising scaffold for antitumor drug development. Addnl., the docking study and mol. dynamics simulations of I revealed a common mode of interaction with the binding site of c-Met. These pos. results indicated that I is a potential anti-cancer candidate for clin. trials, and deserves further development as a selective c-Met inhibitor.

European Journal of Medicinal Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Synthetic Route of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Liu, Dengyue published the artcileFirst Discovery of Novel Pyrido[1,2-a]pyrimidinone Mesoionic Compounds as Antibacterial Agents, HPLC of Formula: 939-99-1, the publication is Journal of Agricultural and Food Chemistry (2019), 67(43), 11860-11866, database is CAplus and MEDLINE.

Plant bacterial diseases cause tremendous decreases in crop yield and quality, and there is a lack of highly effective and low-risk antibacterial agents. A series of novel pyrido[1,2-a]pyrimidinone mesoionic compounds containing vanillin moieties were synthesized, and the application of these mesoionic compounds as plant antibacterial agents was reported here for the first time. The bioassay results revealed that the mesoionic compounds had good antibacterial activity. Of these compounds, compound (I) showed excellent in vitro activity against Xanthomonas oryzae pv. oryzae, with an EC₅₀ value of 1.1μg/mL, which was substantially better than that of bismerthiazol (92.7μg/mL) and thiodiazole copper (105.4μg/mL). Moreover, greenhouse condition trials indicated that the protective and curative activities of compound I against rice bacterial leaf blight were 75.12% and 72.04%, resp., which were better than those of bismerthiazol (62.24% and 50.83%, resp.) and thiodiazole copper (53.35% and 65.04%, resp.). These results provide a basis for the application of mesoionic vanillin moieties as new antibacterial agents.

Journal of Agricultural and Food Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, HPLC of Formula: 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Cao, Chaotun published the artcileA new insight into the push-pull effect of substituents via the stilbene-like model compounds, Formula: C8H6ClF3, the publication is Journal of Physical Organic Chemistry (2022), 35(4), e4319, database is CAplus.

In this paper, authors report on 1-pyridyl-2-arylethenes, 1-furyl-2-arylethylenes, 1,2-diphenylpropylenes and substituted cinnamyl anilines as stilbene-like model compounds to investigate the factors dominating the push-pull effect of substituents via using the NMR chem. shift of bridging bond carbon atoms. It is demonstrated that the maximum push-pull effect is not always between the strong electron-donating D and strong electron-accepting A groups in D-π-A compounds The action mode of push-pull effect of substituents in D-π-A compounds is dominated by their mol. parent structure. The contribution of field/inductive effect and conjugative effect of a group to the push-pull effect is unequal. When the D-π-A parent mol. is in a plane, the influence of field/inductive effect of a group on the push-pull effect is greater than or close to that of its conjugative effect does. Although the parent mol. is sterically twisted, the push-pull effect is mainly dependent on the conjugative effect of a group. The results of this paper can provide us a new insight into the push-pull effect of substituents.

Journal of Physical Organic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Formula: C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Qi published the artcileAdditive-Controlled Divergent Synthesis of Indole and 4H-Benzo[d][1,3]oxazine Derivatives: Palladium-Catalyzed Carbonylative Cyclization of 2-Alkynylanilines and Benzyl Chlorides, Quality Control of 939-99-1, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

A palladium-catalyzed divergent carbonylative synthesis of indoles and 4H-benzo[d][1,3]oxazines from 2-alkynylanilines and benzyl chlorides with benzene-1,3,5-triyl triformate (TFBen) as the CO source was developed. The reaction using AlCl₃ as the additive produced various indoles in high yields, while a series of 4H-benzo[d][1,3]oxazines were achieved in moderate yields with AcOH as the additive.

Journal of Organic Chemistry published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C13H14N2O, Quality Control of 939-99-1.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Wang, Qi published the artcilePalladium-catalyzed aminocarbonylative cyclization of benzyl chlorides with 2-nitroaryl alkynes to construct indole derivatives, Related Products of chlorides-buliding-blocks, the publication is Molecular Catalysis (2022), 112302, database is CAplus.

A palladium-catalyzed aminocarbonylative cyclization of benzyl chlorides RCH₂Cl (R = Ph, 3,5-dichlorophenyl, naphthalen-1-yl, etc.) with 2-nitroaryl alkynes 2-NO₂-4-R¹-5-R²C₆H₂CCR³ (R¹ = H, Me, F; R² = H, Cl; R³ = Ph, n-Bu, cyclopropyl, etc.) has been developed for the rapid construction of indole skeletons I. The reaction utilized nitroarenes as the nitrogen source, Mo(CO)₆ as both the CO surrogate and the reductant to furnish various indole derivatives I in moderate to high yields.

Molecular Catalysis published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C4H10BBrO2, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Xu, Jun published the artcileMultistep Synthesis and Nematicidal Activity of 2-(8-azabicyclo[3.2.1]octan-3-yl)-3-imino-2,3-dihydro-1H-isoindol-1-One Derivatives, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2021), 57(1), 31-39, database is CAplus.

Novel 2-(8-azabicyclo[3.2.1]octan-3-yl)-3-imino-2,3-dihydro-1H-isoindol-1-ones I [R = H, 5-F, 6-MeO, 5-Cl; R¹ = Me, benzyl, 4-chlorobenzyl, etc.; R² = tert-Bu, cyclohexyl, 2-MeOC₆H₄, etc.] which derived from 5-HT₃ receptor antagonists hexahydroazepinylbenzamides were designed and synthesized through isocyanide insertion reaction. All target compounds I were evaluated against pinewood nematodes B. xylophilus and root-knot nematodes M. incognita. Good lethal rate (75%) for I [R = 5-Cl, R¹= Me, R² = tert-butyl] and serious nervous curl effect against pinewood nematodes B. xylophilus for I [R = H, R¹= Me, R² = tert-butyl] were observed at 10 mg/l. The inhibition activities of I [R = H, R¹= Me, R² = 2-MeOC₆H₄, etc.] against root-knot nematodes M. incognita were 84% at 160 mg/l and 60% at 20 mg/l for in-vitro test and test tube test, resp.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H17Br, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Guo, Yan published the artcileDesign, synthesis, and evaluation of acetylcholinesterase and butyrylcholinesterase dual-target inhibitors against Alzheimer’s disease, Product Details of C8H6ClF3, the publication is Molecules (2020), 25(3), 489, database is CAplus and MEDLINE.

A series of novel derivatives based on G801-0274 were synthesized and evaluated, together with the known analogs, for their inhibitory activities towards acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The inhibitory activities of AChE and BChE were evaluated in vitro by Ellman method. The results show that some compounds have good inhibitory activity against AChE and BChE. Among them, compound -N-((1-Benzylpiperidin-4-yl)methyl)-2-Oxoindoline-5-carboxamide showed the strongest inhibitory effect on both AChE (AChE IC₅₀ = 0.39μM) and BChE (BChE IC₅₀ = 0.28μM). Enzyme inhibition kinetics and mol. modeling studies have shown that the above compound bind simultaneously to the peripheral anionic site (PAS) and the catalytic sites (CAS) of AChE and BChE and in addition, the cytotoxicity of this compound is lower than that of Tacrine, indicating its suitability as anti-Alzheimer’s disease (anti-AD) agents. In summary, these data suggest that compound N-((1-Benzylpiperidin-4-yl)methyl)-2-Oxoindoline-5-carboxamide is a promising multipotent agent for the treatment of AD.

Molecules published new progress about 939-99-1. 939-99-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Benzyl chloride,Benzene, name is 1-(Chloromethyl)-4-(trifluoromethyl)benzene, and the molecular formula is C8H6ClF3, Product Details of C8H6ClF3.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics