Category: chlorides-buliding-blocks

Chen, Xinyu published the artcileAcetylcholinesterase Inhibitors with Photoswitchable Inhibition of β-Amyloid Aggregation, Computed Properties of 219537-97-0, the publication is ACS Chemical Neuroscience (2014), 5(5), 377-389, database is CAplus and MEDLINE.

Photochromic cholinesterase inhibitors were obtained from cis-1,2-α-dithienylethene-based compounds by incorporating one or two aminopolymethylene tacrine groups. All target compounds are potent acetyl- (AChE) and butyrylcholinesterase (BChE) inhibitors in the nanomolar concentration range. Compound I bearing an octylene linker exhibited interactions with both the catalytic active site (CAS) and the peripheral anionic site (PAS) of AChE. Yet upon irradiation with light, the mechanism of interaction varied from one photochromic form to another, which was investigated by kinetic studies and proved “photoswitchable”. The AChE-induced β-amyloid (Aβ) aggregation assay gave further exptl. support to this finding: Aβ_1-40 aggregation catalyzed by the PAS of AChE might be inhibited by compound I in a concentration-dependent manner and seems to occur only with one photochromic form. Computational docking studies provided potential binding modes of the compound Docking studies and mol. dynamics (MD) simulations for the ring-open and -closed form indicate a difference in binding. Although both forms can interact with the PAS, more stable interactions are observed for the ring-open form based upon stabilization of a water mol. network within the enzyme, whereas the ring-closed form lacks the required conformational flexibility for an analogous binding mode. The photoswitchable inhibitor identified might serve as valuable mol. tool to investigate the different biol. properties of AChE as well as its role in pathogenesis of AD in in vitro assays.

ACS Chemical Neuroscience 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, Computed Properties of 219537-97-0.

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

Ma, Zhi-Gang published the artcileAsymmetric Organocatalytic Synthesis of 2,3-Allenamides from Hydrogen-Bond-Stabilized Enynamides, Safety of 2,3-Dibromopropionylchloride, the publication is Organic Letters (2019), 21(7), 2468-2472, database is CAplus and MEDLINE.

Asym. catalytic synthesis of 2,3-allenamides from hydrogen-bond-stabilized enynamides in the presence of quinine-based bifunctional squaramide organocatalysts is described. This protocol forms a variety of 2,3-allenamides in high yields and excellent stereoselectivities, in which the elaborated introduction of intramol. H-bonds within the N,N-bidentate amide group constitutes one of the keys to this highly enantioselective transformation. The synthetic practicality of this reaction was demonstrated by the axis-to-center chirality transfer of allenamides to furnish enantiomerically enriched building blocks.

Organic Letters published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C3H3Br2ClO, Safety of 2,3-Dibromopropionylchloride.

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

Jing, Ke published the artcileVisible-light photoredox-catalyzed carboxylation of benzyl halides with CO₂: Mild and transition-metal-free, HPLC of Formula: 939-99-1, the publication is Chinese Journal of Catalysis (2022), 43(7), 1667-1673, database is CAplus.

The visible-light photoredox-catalyzed carboxylation of benzyl chlorides and bromides with CO₂ has been reported. With inexpensive organic dyes as photocatalysts and amines as electron donors, this carboxylation proceeds well in the absence of sensitive organometallic reagents, transition metal catalysts, or metallic reductants. A wide range of com. available and inexpensive benzyl halides undergo such carboxylation to give valuable aryl acetic acids, including several pharmaceutical mols. and drug precursors, in moderate to high yields. Moreover, this reaction features mild reaction conditions (one atm. pressure of CO₂ and room temperature), broad substrate scope, good functional group tolerance, easy scalability, and low catalyst loading, thus providing an efficient approach for the assembly of aryl acetic acids.

Chinese Journal of 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 C8H6ClF3, HPLC of Formula: 939-99-1.

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

Cai, Wen-Qiang published the artcileNi-Catalyzed Enantioselective Benzylation of Secondary Phosphine Oxide, Safety of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Organic Letters (2022), 24(5), 1258-1262, database is CAplus and MEDLINE.

A nickel-catalyzed benzylic substitution of secondary phosphine oxide was described, affording the dialkylated P-stereogenic tertiary phosphine oxides with high to excellent enantioselectivities. The reaction was performed under mild conditions with com. available benzyl chlorides and bench stable secondary phosphine oxides, exhibiting broad functional group tolerance. It represented a practical example for the preparation of P-stereogenic phosphine compounds

Organic Letters 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

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

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

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

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

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

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