Month: December 2022

Yu, Yang published the artcileStudy on the toxicity of organic pollutants to seven aquatic organisms based on Abraham model, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Huanjing Huaxue (2015), 34(1), 23-36, database is CAplus.

The toxicities of 141 organic pollutants to seven aquatic organisms (Vibrio fischeri, River bacteria, Scenedesmus obliquus, Daphnia magna, Cyprinuscarpio, Pimephalespromelas, Poeciliareticulata) were analyzed. A linear relationship between the toxicity data of non-polar or polar narcotics and hydrophobicity (lgK_ow) was established for the seven species, resp. This relationship was interpreted based on the theor. consideration. Meanwhile, quant. structure-activity relationship (QSAR) studies were performed between the toxicities of seven aquatic organisms and Abraham descriptors. The mechanisms of action to seven species were analyzed theor. based on Abraham descriptors and model coefficients The principal component anal. carried out on the regression coefficients of Abraham models showed that there were interspecies similarities and differences between the species. In the same time, the interspecies correlation of organic pollutants to seven aquatic organisms was analyzed. The results showed that there were good interspecies corrections between fish species, marine bacterium and fish or daphnia magna and fish. It suggested that some compounds shared the same toxic mechanism of action between the species. However, poor interspecies relationships found between toxicities to algae and daphnia magna or fish suggested that compounds have different toxic mechanism of action between these species.

Huanjing Huaxue published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C17H16O2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Chen, Lijuan published the artcileDesign, synthesis, antiviral bioactivities and interaction mechanisms of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold, Computed Properties of 620-20-2, the publication is BMC Chemistry (2019), 13(1), 1-12, database is CAplus and MEDLINE.

penta-1,4-diene-3-one oxime ether and quinazolin-4(3H)-one derivatives possess favorable agricultural activities. Aiming to discover novel mols. with highly-efficient agricultural activities, a series of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold were synthesized and evaluated for their antiviral activities. Antiviral bioassays indicated that some title compounds exhibited significant antiviral activity against tobacco mosaic virus (TMV). In particular, compounds 8c, 8j and 8k possessed appreciable curative activities against TMV in vivo, with half-maximal effective concentration (EC50) values of 138.5, 132.9 and 125.6 μg/mL, resp., which are better than that of ningnanmycin (207.3 μg/mL). Furthermore, the microscale thermophoresis experiments (MST) on the interaction of compound 8k with TMV coat protein (TMV CP) showed 8k bound to TMV CP with a dissociation constant of 0.97 mmol/L. Docking studies provided further insights into the interaction of 8k with the Arg90 of TMV CP. Sixteen penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold were designed, synthesized, and their antiviral activities against TMV were evaluated. Antiviral bioassays indicated that some target compounds exhibited remarkable antiviral activities against TMV. Furthermore, through the MST and docking studies, we can speculate that 8k inhibited the virulence of TMV by binding Arg90 in TMV CP. These results indicated that this kind of penta-1,4-diene-3-one oxime ether derivatives containing a quinazolin-4(3H)-one scaffold could be further studied as potential alternative templates in the search for novel antiviral agents.

BMC Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, Computed Properties of 620-20-2.

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

Wu, Yu-Xi published the artcileCopper-Catalyzed Synthesis of O/N-Alkyl S-Phenyl Phenylcarbamothioates: An Odorless and Chemo-selective Chan-Lam Reaction to Construct C-S Bond, Name: 2-Chloro-4-methylphenylboronic acid, the publication is European Journal of Organic Chemistry (2022), 2022(32), e202200707, database is CAplus.

The O/N-alkyl-S-phenyl-(Z)-phenylcarbamothioates I [R¹ = H, 4-Me, 4-Cl, etc.; R² = OMe, OEt, OBu, N-morpholinyl; R³ = H, 3-Br, 4-Ph, etc.] were synthesized via copper-catalyzed chemoselective Chan-Lam reaction of odorless O/N-alkyl phenylthiocarbamates as sulfur sources and com. available phenylboronic acids as substrates. This methodol. featured simple performance, odorless sulfur source, easily available starting material, good functional group tolerance, and high chemo-selectivity to construct C-S bonds, thereby provided an alternative way to the synthesis of potentially bioactive compounds

European Journal of Organic Chemistry published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H3IN2O2, Name: 2-Chloro-4-methylphenylboronic acid.

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

Zhang, Zhiwei published the artcileA building-block design for enhanced visible-light switching of diarylethenes, Product Details of C15H14Cl2S2, the publication is Nature Communications (2019), 10(1), 1-9, database is CAplus and MEDLINE.

Current development of light-responsive materials and technologies imposes an urgent demand on visible-light photoswitching on account of its mild excitation with high penetration ability and low photo-toxicity. However, complicated mol. design and laborious synthesis are often required for visible-light photoswitch, especially for diarylethenes. Worse still, a dilemma is encountered as the visible-light excitation of the diarylethene is often achieved at the expense of photochromic performances. To tackle these setbacks, we introduce a building-block design strategy to achieve all-visible-light photochromism with the triplet-sensitization mechanism. The simply designed diarylethene system is constructed by employing a sensitizer building-block with narrow singlet-triplet energy gap (ΔE_ST) to a diarylethene building-block. A significant improvement on the photochromic efficiency is obtained as well as an enhanced photo-fatigue resistance over those under UV irradiation The balance between the visible-light excitation and decent photochromism is thus realized, promoting a guiding principle for the visible-light photochromism.

Nature Communications published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C10H9NO, Product Details of C15H14Cl2S2.

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

Chen, Ming-Tsz published the artcileN-Heterocyclic carbene-palladium complexes for Suzuki-Miyaura coupling reaction with benzyl chloride and aromatic boronic acid leading to diarylmethanes, Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Applied Organometallic Chemistry (2019), 33(6), n/a, database is CAplus.

A family of N-heterocyclic carbene-palladium(II)-N,N-dimethylbenzylamine complexes ((NHC)LPdCl₂; L = N,N-dimethylbenzylamine) was synthesized as well as characterized using single-crystal X-ray diffraction and spectroscopic data. These complexes exhibited higher catalytic activities for Suzuki-Miyaura coupling of benzyl chlorides with arylboronic acids to afford diarylmethanes under milder conditions. Using the optimum conditions, the expected coupling products were obtained in moderate to high yields.

Applied Organometallic 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, Name: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Luan, Feng published the artcileEstimation of the toxicity of different substituted aromatic compounds to the aquatic ciliate Tetrahymena pyriformis by QSAR approach, Application In Synthesis of 350-30-1, the publication is Molecules (2018), 23(5), 1002/1-1002/16, database is CAplus and MEDLINE.

Nowadays, quant. structure-activity relationship (QSAR) methods have been widely performed to predict the toxicity of compounds to organisms due to their simplicity, ease of implementation, and low hazards. In this study, to estimate the toxicities of substituted aromatic compounds to Tetrahymena pyriformis, the QSAR models were established by the multiple linear regression (MLR) and radial basis function neural network (RBFNN). Unlike other QSAR studies, according to the difference of functional groups (-NO₂, -X), the whole dataset was divided into three groups and further modeled sep. The statistical characteristics for the models are obtained as the following: MLR: n = 36, R² = 0.829, RMS (root mean square) = 0.192, RBFNN: n = 36, R² = 0.843, RMS = 0.167 for Group 1; MLR: n = 60, R² = 0.803, RMS = 0.222, RBFNN: n = 60, R² = 0.821, RMS = 0.193 for Group 2; MLR: n = 31 R² = 0.852, RMS = 0.192; RBFNN: n = 31, R² = 0.885, RMS = 0.163 for Group 3, resp. The results were within the acceptable range, and the models were found to be statistically robust with high external predictivity. Moreover, the models also gave some insight on those characteristics of the structures that most affect the toxicity.

Molecules published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Application In Synthesis of 350-30-1.

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

Feng, Guang-Jing published the artcileImproved Synthesis of 1-Glycosyl Thioacetates and Its Application in the Synthesis of Thioglucoside Gliflozin Analogues, Related Products of chlorides-buliding-blocks, the publication is European Journal of Organic Chemistry (2021), 2021(21), 2940-2949, database is CAplus.

An improved method to synthesize 1-glycosyl thioacetates was developed, where per-O-acetylated glycoses were allowed to directly react with potassium thioacetate (KSAc) in the presence of BF₃ · Et₂O in Et acetate under mild conditions. This method not only overcomes the disadvantage of the traditional one-step method, which is that the odorous and toxic thioacetic acid has to be used, but also overcomes the disadvantage of the traditional two-step method, which is that the unstable intermediate, glycosyl halide, has to be synthesized from the per-O-acetylated glycose in advance. Based on this, the per-O-acetylated glucosyl disulfide and the per-O-acetylated glucosyl 1-thiol were efficiently synthesized in high yields (91% and 90% resp.) starting from per-O-acetylated glycoses in two-step without the need to isolate intermediate products. Through metal-catalyzed cross-coupling of per-O-acetylated glucosyl 1-thiol with aryl-iodide under very mild conditions, two thioglucoside gliflozin analogs were efficiently synthesized in high yields for the first time. These two thioglucoside gliflozin analogs I and II were further confirmed to be stable to hydrolysis of β-glucosidase.

European Journal of Organic Chemistry published new progress about 1375325-77-1. 1375325-77-1 belongs to chlorides-buliding-blocks, auxiliary class Palladium, name is Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)-2-(2-amino-1,1-biphenyl)]palladium(ii), and the molecular formula is C51H42ClNOP2Pd, Related Products of chlorides-buliding-blocks.

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

Li, Zhong-Rui published the artcileExperience-based discovery (EBD) of aryl hydrazines as new scaffolds for the development of LSD1/KDM1A inhibitors, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is European Journal of Medicinal Chemistry (2019), 432-444, database is CAplus and MEDLINE.

Phenelzine was first employed to design new aryl hydrazine-based LSD1 inhibitors based on the experience-based discovery (EBD) strategy. Among these compounds, D8 potently inhibited LSD1 (IC₅₀ = 882.30 nM) in a reversible manner. Compound D8 was selective to LSD1 over MAO-A/B and showed H3K4me2 competitive binding to LSD1. The interaction between H3K4me2 and LSD1 was also confirmed by the Co-IP assay. In LSD1 overexpressed A549 cells, compound D8 dose-dependently induced accumulation of LSD1 substrates H3K4me1/2 and H3K9me1/2, showed cellular target engagement to LSD1 and significantly inhibited cell migration of A549 cells. Docking studies suggested that compound D8 occupied the peptide binding region and therefore blocked the access of the peptide substrate to the FAD, finally leading to the demethylase activity inhibition of LSD1. The findings indicate that aryl hydrazines are new scaffolds for the design of LSD1 inhibitors, the identification of D8 provides further evidence for our previously proposed general principle that fused heterocycles with an amine group are potentially active toward LSD1 by competitive binding to LSD1 with H3 peptide substrates.

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, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Li, Xincan published the artcileEffects of cyclization on activity and stability of α-conotoxin TxIB, COA of Formula: C19H14Cl2, the publication is Marine Drugs (2020), 18(4), 180, database is CAplus and MEDLINE.

A α-Conotoxin TxIB specifically blocked α6/α3β2β3 acetylcholine receptors (nAChRs), and it could be a potential probe for studying addiction and other diseases related to α6/α3β2β3 nAChRs. However, as a peptide, TxIB may suffer from low stability, short half-life, and poor bioavailability. In this study, cyclization of TxIB was used to improve its stability. Four cyclic mutants of TxIB (cTxIB) were synthesized, and the inhibition of these analogs on α6/α3β2β3 nAChRs as well as their stability in human serum were measured. All cyclized analogs had similar activity compared to wild-type TxIB, which indicated that backbone cyclization of TxIB had no significant effect on its activity. Cyclization of TxIB with a seven-residue linker improved its stability significantly in human serum. Besides this, the results showed that cyclization maintained the activity of α-conotoxin TxIB, which is conducive to its future application.

Marine Drugs published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, COA of Formula: C19H14Cl2.

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

Xu, Li published the artcileA highly selective and sensitive photoswitchable fluorescent probe for Hg²⁺ based on bisthienylethene-rhodamine 6G dyad and for live cells imaging, Synthetic Route of 219537-97-0, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (2014), 567-574, database is CAplus and MEDLINE.

A new photochromic diarylethene derivative bearing rhodamine 6G dimmer as a fluorescent mol. probe is designed and synthesized successfully. All the compounds are characterized by NMR and mass spectrometry. The bisthienylethene-rhodamine 6G dyad exhibit excellent phtochromism with reversibly color and fluorescence changes alternating irradiation with UV and visible light. Upon addition of Hg²⁺, its color changes from colorless to red and its fluorescence is remarkably enhanced. Whereas other ions including K⁺, Na⁺, Ca²⁺, Mg²⁺, Fe²⁺, Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, Mn²⁺, Pb²⁺, Ni²⁺, Fe³⁺, Al³⁺, Cr³⁺ and so on induce basically no spectral changes, which constitute a highly selective and sensitive photoswitchable fluorescent probe toward Hg²⁺. Furthermore, by means of laser confocal scanning microscopy experiments, it is demonstrated that this probe can be applied for live cell imaging and monitoring Hg²⁺ in living lung cancer cells with satisfying results, which shows its value of potential application in environmental and biol. systems.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about 219537-97-0. 219537-97-0 belongs to chlorides-buliding-blocks, auxiliary class Fused/Partially Saturated Cycles,Cyclopentenes, name is 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, and the molecular formula is C18H24N6O6S4, Synthetic Route of 219537-97-0.

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