Month: December 2022

Feng, Yanli published the artcilePhotochromic thiophene oligomers based on bisthienylethene: syntheses, photochromic and two-photon properties, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene, the publication is Journal of Materials Chemistry (2006), 16(37), 3685-3692, database is CAplus.

A series of novel, functional sym. and unsym. photochromic thiophene oligomers based on bisthienylethenes (BTEs) were synthesized via control of the reaction condition with a Suzuki coupling method. Their optical, photochromic quantum yields, two-photon and electrochem. properties in THF as well as in poly(Me methacrylate) (PMMA) films were measured and discussed. The fluorescence emission can be tuned reversibly by alternating irradiation with UV and visible light. These BTEs could be used as nanowires, fluorescent switch and electrochem. switch.

Journal of Materials Chemistry 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 C15H14Cl2S2, Application of 5-Chloro-3-[2-(5-chloro-2-methylthien-3-yl)cyclopent-1-en-1-yl]-2-methylthiophene.

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

Qu, Renyu published the artcileDesign, synthesis and bioactivity of new pyrimidyl-salicylate inhibitors, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Youji Huaxue (2019), 39(8), 2303-2310, database is CAplus.

Acetohydroxyacid synthase (AHAS) was one of important herbicidal targets. However, the issue of weed resistance to com. AHAS inhibitors has become one of the largest obstacles for their application. Therefore, there is a high demand to design new anti-resistance AHAS inhibitors. Herein, based on the reported low resistance AHAS inhibitors, a series of pyrimidyl-salicylates with “double oxygen bridge” utilized the “conformation flexibility anal.” strategy were designed. All the synthesized compounds were characterized by ¹H NMR, ¹³C NMR and HRMS. The bioactivity results showed that most of the derivatives displayed good inhibitory activities against P197L mutant. Especially, 2-((4,6-dimethoxypyrimidin-2-yl)oxy)-6-(2-fluoro-4-nitrophenoxy)-4-methylbenzoic acid (6l) was identified as the most potent anti-resistance AHAS inhibitor. In addition, some compounds showed good weed control for resistant Descurainia sophia (P197L AHAS). Most importantly, 2-((4,6-dimethoxypyrimidin-2-yl)oxy)-6-(2-fluorophenoxy)-4-methylbenzoic acid (6b) showed 80% herbicidal activities against sensitive and resistant Descurainia sophia at the dosage of 150 g ai/ha. These results indicated that this type of compounds worth of the further investigation.

Youji 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 C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Liang, Chunhui published the artcileEnhanced cellular uptake and nuclear accumulation of drug-peptide nanomedicines prepared by enzyme-instructed self-assembly, Formula: C19H14Cl2, the publication is Journal of Controlled Release (2020), 109-117, database is CAplus and MEDLINE.

Subcellular delivery of nanomedicines has emerged as a promising approach to enhance the therapeutic efficacy of anticancer drugs. Nuclear accumulation of anticancer drugs are essential for its therapeutic efficacy because their targets are generally located within the nucleus. However, strategies for the nuclear accumulation of nanomedicines with anticancer drugs rarely reported. In this study, we reported a promising nanomedicine, comprising a drug-peptide amphiphile, with enhanced cellular uptake and nuclear accumulation capability for cancer therapy. The drug-peptide amphiphile consisted of the peptide ligand PMI (TSFAEYWNLLSP), which was capable of activating the p53 gene by binding with the MDM2 and MDMX located in the cell nucleus. Peptide conformations could be finely tuned by using different strategies including heating-cooling and enzyme-instructed self-assembly (EISA) to trigger mol. self-assembly at different temperatures Due to the different peptide conformations, the drug-peptide amphiphile self-assembled into nanomedicines with various properties, including stabilities, cellular uptake, and nuclear accumulation. The optimized nanomedicine formed by EISA strategy at a low temperature of 4 C showed enhanced cellular uptake and nuclear accumulation capability, and thus exhibited superior anticancer ability both in vitro and in vivo. Overall, our study provides a useful strategy for finely tuning the properties and activities of peptide-based supramol. nanomaterials, which may lead to optimized nanomedicines with enhanced performance.

Journal of Controlled Release 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, Formula: C19H14Cl2.

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

Chen, Zhi-wei published the artcileSynthesis of 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride, Application of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, the publication is Zhongguo Xiandai Yingyong Yaoxue (2008), 25(4), 308-309, database is CAplus.

A method for the synthesis of the title compound [i.e., 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbonyl chloride] is reported here. The synthesis of the target compound was achieved by a synthetic sequence involving an oximation reaction, chlorination, cyclization, hydrolysis, acyl chlorination using 2-chloro-6-fluorobenzaldehyde as starting material. The structure was determined by IR, NMR, ¹³C-NMR, MS (overall yield 60.2%). This is a practical and low-cost synthetic route. The above-mentioned target compound is an intermediate for flucloxacillin [i.e., (2S,5R,6R)-6-[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid].

Zhongguo Xiandai Yingyong Yaoxue published new progress about 3919-74-2. 3919-74-2 belongs to chlorides-buliding-blocks, auxiliary class Isoxazole,Fluoride,Chloride,Carboxylic acid,Benzene, name is 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid, and the molecular formula is C11H7ClFNO3, Application of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylic acid.

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

Han, Fei published the artcileSynthesis and bioactivities of phenazine-1-carboxylic piperazine derivatives, Formula: C7H6Cl2, the publication is Natural Product Research (2020), 34(9), 1282-1287, database is CAplus and MEDLINE.

Phenazine-1-carboxylic acid (PCA) as a natural product which has significant inhibition effects against many soil-borne fungal phytopathogens in agricultural application and has been registered in China as the fungicide against rice sheath blight. In order to find new higher fungicidal activities lead compounds and develop new eco-friendly agrochems., we introduced substructure piperazines which also have high biol. activity into PCA, designed and synthesized a series of phenazine-1-carboxylic piperazine derivatives, and their structures were confirmed by ¹H NMR and HRMS. Most compounds exhibited certain in vitro fungicidal activities. In particular, Compounds exhibited the activity against all the tested pathogenic fungi, such as Rhizoctonia solani, Alternaria solani, Fusarium oxysporum, Fusarium graminearum, Pyricularia oryzae Cavgra, with the EC₅₀ value of 24.6μM, 42.9μM, 73.7μM, 73.8μM, 34.2μM, resp., more potent activities than PCA (33.2μM, 81.5μM, 186.5μM, 176.4μM, 37.3μM). This result provided a highly active lead compound for the further structure optimization design.

Natural Product Research 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, Formula: C7H6Cl2.

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

Cao, Chao-Tun published the artcileDetermination and application of the excited-state substituent constants of pyridyl and substituted phenyl groups, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Journal of Physical Organic Chemistry (2021), 34(9), e4246, database is CAplus.

Thirty six 1-pyridyl-2-arylethenes XCH=CHArY (abbreviated XAEY) were synthesized, in which, X is 2-pyridyl, 3-pyridyl and 4-pyridyl, and Y is OMe, Me, H, Br, Cl, F, CF₃, and CN. Their UV absorption spectra were measured in anhydrous ethanol, and their wavelengths of absorption maximum, λ_max, were recorded. Also, 234 λ_max values of 1-substituted phenyl-2-arylethylene compounds (XAEY, where X is substituted phenyl) were collected. The excited-state substituent constants of three pyridyl groups and 23 substituted Ph groups (a total of 26) were obtained by means of the curve-fitting method. Taking the λ_max values of 358 samples of bi-arylethene derivatives as a data set and 126 samples of bi-aryl Schiff bases (including nine compounds synthesized by this work (data not shown)) as another data set, quant. correlation analyses were performed by employing the obtained excited-state substituent constants as a parameter, and good results were obtained for the two data sets. The reliability of the obtained excited-state substituent constant values was verified. The results of this paper provided excited-state substituent constants for the studied compounds and application of optical properties of conjugated organic compounds containing aryl groups.

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, Recommanded Product: 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Cao, Chao-tun published the artcileInfluence of substituent and push-pull effect on the chemical shifts of the carbon in bridging bond of 1-furyl/thienyl-2-arylethylene, Application In Synthesis of 939-99-1, the publication is Journal of Physical Organic Chemistry (2021), 34(4), e4160, database is CAplus.

Sixty-six samples of 1-furyl/thienyl-2-arylethylene model compounds XCH=CHArY (abbreviated XEBY) were synthesized. The NMR spectra (NMR) of model compounds were determined The chem. shift δ_C(X) and δ_C(Y) of the carbon atoms in bridging bond CH=CH which connected to the X group and the ArY group, resp., were confirmed with the two-dimensional NMR method. The effect of substituent on the δ_C(X) and δ_C(Y) was studied, meanwhile, the push-pull effect of substituent on Δδ_C = δ_C(Y) – δ_C(X) and δ_C(Y/X) = δ_C(Y)/δ_C(X) were discussed. The results show the following: (a) Both the δC(X) and δC(Y) are affected by excited-state substituent constant σCCexX of group X, Hammett constant σ(Y), and excited-state substituent constantσCCexY of group Y. The effect of σ(Y) on the δ_C(X) is pos., whereas that on the δ_C(Y) is neg. That is to say, the σ(Y) of group Y has an alternative influence on the δ_C(X) and δ_C(Y). (b) Compared with furyl, there is a p-d effect formed by the 3d orbit of S atom and the p electron of the π system in thienyl, which increase the chem. shift of the carbon atoms in bridging bond. (c) The push-pull effect between substituent X and Y is not only affected by the σ parameter but also related to the σ_CC^ex parameter, which results from the combined effect of the two parameters σ and σ_CC^ex. The observation of this paper provides a new perspective in understanding the push-pull effect of substituent.

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, Application In Synthesis of 939-99-1.

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

Cao, Chao-Tun published the artcileDetermination and application of the excited-state substituent constants of pyridyl and substituted phenyl groups, HPLC of Formula: 620-20-2, the publication is Journal of Physical Organic Chemistry (2021), 34(9), e4246, database is CAplus.

Thirty six 1-pyridyl-2-arylethenes XCH=CHArY (abbreviated XAEY) were synthesized, in which, X is 2-pyridyl, 3-pyridyl and 4-pyridyl, and Y is OMe, Me, H, Br, Cl, F, CF₃, and CN. Their UV absorption spectra were measured in anhydrous ethanol, and their wavelengths of absorption maximum, λ_max, were recorded. Also, 234 λ_max values of 1-substituted phenyl-2-arylethylene compounds (XAEY, where X is substituted phenyl) were collected. The excited-state substituent constants of three pyridyl groups and 23 substituted Ph groups (a total of 26) were obtained by means of the curve-fitting method. Taking the λ_max values of 358 samples of bi-arylethene derivatives as a data set and 126 samples of bi-aryl Schiff bases (including nine compounds synthesized by this work (data not shown)) as another data set, quant. correlation analyses were performed by employing the obtained excited-state substituent constants as a parameter, and good results were obtained for the two data sets. The reliability of the obtained excited-state substituent constant values was verified. The results of this paper provided excited-state substituent constants for the studied compounds and application of optical properties of conjugated organic compounds containing aryl groups.

Journal of Physical Organic 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, HPLC of Formula: 620-20-2.

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

Cao, Chao-tun published the artcileInfluence of substituent and push-pull effect on the chemical shifts of the carbon in bridging bond of 1-furyl/thienyl-2-arylethylene, HPLC of Formula: 620-20-2, the publication is Journal of Physical Organic Chemistry (2021), 34(4), e4160, database is CAplus.

Sixty-six samples of 1-furyl/thienyl-2-arylethylene model compounds XCH=CHArY (abbreviated XEBY) were synthesized. The NMR spectra (NMR) of model compounds were determined The chem. shift δ_C(X) and δ_C(Y) of the carbon atoms in bridging bond CH=CH which connected to the X group and the ArY group, resp., were confirmed with the two-dimensional NMR method. The effect of substituent on the δ_C(X) and δ_C(Y) was studied, meanwhile, the push-pull effect of substituent on Δδ_C = δ_C(Y) – δ_C(X) and δ_C(Y/X) = δ_C(Y)/δ_C(X) were discussed. The results show the following: (a) Both the δC(X) and δC(Y) are affected by excited-state substituent constant σCCexX of group X, Hammett constant σ(Y), and excited-state substituent constantσCCexY of group Y. The effect of σ(Y) on the δ_C(X) is pos., whereas that on the δ_C(Y) is neg. That is to say, the σ(Y) of group Y has an alternative influence on the δ_C(X) and δ_C(Y). (b) Compared with furyl, there is a p-d effect formed by the 3d orbit of S atom and the p electron of the π system in thienyl, which increase the chem. shift of the carbon atoms in bridging bond. (c) The push-pull effect between substituent X and Y is not only affected by the σ parameter but also related to the σ_CC^ex parameter, which results from the combined effect of the two parameters σ and σ_CC^ex. The observation of this paper provides a new perspective in understanding the push-pull effect of substituent.

Journal of Physical Organic 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, HPLC of Formula: 620-20-2.

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

Qi, Yan-yan published the artcileComparative efficacy of pharmacological agents on reducing the risk of major adverse cardiovascular events in the hypertriglyceridemia population: a network meta-analysis, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, the publication is Diabetology & Metabolic Syndrome (2021), 13(1), 15, database is CAplus and MEDLINE.

Hypertriglyceridemia (HTG) is considered an independent risk factor for major adverse cardiovascular events (MACE). This study analyzed the effects of various agents on MACE risk reduction in HTG (serum triglyceride �50 mg/dL) populations by performing a network meta-anal. We performed a frequentist network meta-anal. to conduct direct and indirect comparisons of interventions. PubMed, EMBASE, and the Cochrane library were searched for trials until Jul 6, 2020. Randomized controlled trials that reported MACE associated with agents in entire HTG populations or in subgroups were included. The primary outcome was MACE. Of the 2005 articles screened, 21 trials including 56,471 patients were included in the anal. The network meta-anal. results for MACE risk based on frequency data showed that eicosapentaenoic acid (EPA) (OR: 1.32; 95% CI 1.19-1.46), gemfibrozil (OR: 1.53; 95% CI 1.20-1.95), niacin plus clofibrate (OR: 2.00; 95% CI 1.23-3.25), pravastatin (OR: 1.32; 95% CI 1.15-1.52), simvastatin (OR: 2.38; 95% CI 1.55-3.66), and atorvastatin (OR: 0.55; 95% CI 0.37-0.82) significantly reduced the risk of MACE compared to the control conditions. In the subgroup anal. of HTG patients with triglycerides �200 mg/dL, bezafibrate (OR: 0.56; 95% CI 0.33-0.94), EPA (OR: 0.72; 95% CI 0.62-0.82), and pravastatin (OR: 1.33; 95% CI 1.01-1.75) significantly reduced the MACE risk. Simvastatin had a clear advantage in reducing the risk of MACE in the entire HTG population analyzed in this meta-anal. EPA, but not omega-3 fatty acid, was considered an effective HTG intervention. Among fibrates, gemfibrozil was most effective, though bezafibrate may significantly reduce the risk of MACE in populations with triglyceride levels of 200-300 mg/dL.

Diabetology & Metabolic Syndrome published new progress about 637-07-0. 637-07-0 belongs to chlorides-buliding-blocks, auxiliary class Inhibitor,Cell Cycle,PPAR, name is Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate, and the molecular formula is C12H15ClO3, Safety of Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.

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