Author: Jessica.F

Singh, Ravinder published the artcileMonomeric and aggregation emissions of tetraphenylethene in a photo-switchable polymer controlled by cyclization of diarylethene and solvent conditions, Safety 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 C: Materials for Optical and Electronic Devices (2017), 5(38), 9952-9962, database is CAplus.

A novel photo-switchable polymer P-PHT containing diarylethene (DAE) and tetraphenylethene (TPE) moieties and a triazole linker in the repeating unit was synthesized to study the aggregation-induced emission (AIE) behavior of TPE with both the open and closed forms of DAE in P-PHT with high water contents. The photo-switching phenomena of DAE (from open to closed forms under UV-irradiation) in P-PHT were prominent in organic solvent (THF), high water contents (at 90% H₂O) and acidic conditions. Upon UV-irradiation of P-PHT at 90% water content, the AIE of TPE was completely quenched via an energy transfer event from TPE to cyclized DAE. Interestingly, the rare monomeric emission of TPE was first discovered by the photo-cyclization of DAE in P-PHT compared with the AIE behavior of TPE with the open form of DAE in P-PHT with AIE favorable conditions of high water content (90% H₂O) and acidic conditions.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices 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 C16H18Br2ClN3O3, Safety 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

Jing, Lanlan published the artcileIdentification of highly potent and selective Cdc25 protein phosphatases inhibitors from miniaturization click-chemistry-based combinatorial libraries, Safety of 3-Chlorobenzylchloride, the publication is European Journal of Medicinal Chemistry (2019), 111696, database is CAplus and MEDLINE.

Cell division cycle 25 (Cdc25) protein phosphatases play key roles in the transition between the cell cycle phases and their association with various cancers has been widely proven, which makes them ideal targets for anti-cancer treatment. Though several Cdc25 inhibitors have been developed, most of them displayed low activity and poor subtype selectivity. Therefore, it is extremely important to discover novel small mol. inhibitors with potent activities and significant selectivity for Cdc25 subtypes, not only served as drugs to treat cancer but also to probe its mechanism in transitions. In this study, miniaturized parallel click chem. synthesis via CuAAC reaction followed by in situ biol. screening were used to discover selective Cdc25 inhibitors. The bioassay results showed that compound M2N12 proved to be the most potent Cdc25 inhibitor, which also act as a highly selective Cdc25C inhibitor and was about 9-fold potent than that of NSC 663284. Moreover, M2N12 showed remarkable anti-growth activity against the KB-VIN cell line, equivalent to that of PXL and NSC 663284. An all-atom mol. dynamics (MD) simulation approach was further employed to probe the significant selectivity of M2N12 for Cdc25C relative to its structural homologs Cdc25A and Cdc25B. Overall, above results make M2N12 a promising lead compound for further investigation and structural modification.

European Journal of Medicinal 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, Safety of 3-Chlorobenzylchloride.

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

Zhang, Jing published the artcileMultifunctional Mesoporous Silica Nanoparticles Based on Charge-Reversal Plug-Gate Nanovalves and Acid-Decomposable ZnO Quantum Dots for Intracellular Drug Delivery, Application of 2-Chlorotrityl chloride, the publication is ACS Applied Materials & Interfaces (2015), 7(48), 26666-26673, database is CAplus and MEDLINE.

A novel type of pH-responsive multifunctional mesoporous silica nanoparticle (MSN) was developed for cancerous cells drug delivery and synergistic therapy of tumor. MSNs were covered with a kind of cell-penetrating peptide, deca-lysine sequence (K₁₀), to enhance their escape from the endosomes. After K₁₀‘s primary amines were reacted with citraconic anhydride to form acid-labile β-carboxylic amides, zinc oxide (ZnO) quantum dots (QDs) were introduced to cap MSNs via electrostatic interaction. The obtained ZnO@MSN drug-delivery system (DDS) achieves “zero-premature” drug release under a physiol. environment. However, once the DDS is transferred to the cancerous cells’ acidic endosome, ZnO QDs would rapidly dissolve and the acid-labile amides on the side chain of K₁₀ would hydrolyze to regenerate primary amines, resulting in the uncapping of MSNs and exposure of the cell-penetrating peptide K₁₀. The regenerated K₁₀ could help the DDS escape from the endosome and efficiently release the loaded drugs inside the cells. At the meantime, because of the cytotoxicity of ZnO QDs at their destination, the ZnO@MSN DDS may achieve a synergistic antitumor effect to improve the therapeutic index.

ACS Applied Materials & Interfaces 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 C4H6O3, Application of 2-Chlorotrityl chloride.

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

Liu, Jichao published the artcileHexamethyldisilazane Lithium (LiHMDS)-Promoted Hydroboration of Alkynes and Alkenes with Pinacolborane, Application of 4-Chloro-3-fluorostyrene, the publication is Journal of Organic Chemistry, database is CAplus and MEDLINE.

Lithium-promoted hydroboration of alkynes and alkenes using com. available hexamethyldisilazane lithium as a precatalyst and HBpin as a hydride source has been developed. This method will be appealing for organic synthesis because of its remarkable substrate tolerance and good yields. Mechanistic studies revealed that the hydroboration proceeds through the in situ-formed BH₃ species, which acts to drive the turnover of the hydroboration of alkynes and alkenes.

Journal of Organic Chemistry published new progress about 1263414-46-5. 1263414-46-5 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Alkenyl,Benzene, name is 4-Chloro-3-fluorostyrene, and the molecular formula is C8H6ClF, Application of 4-Chloro-3-fluorostyrene.

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

Gauthier, Sylvie published the artcileMechanistic studies of polysilane polymerization, Synthetic Route of 14799-94-1, the publication is Advances in Chemistry Series (1990), 299-307, database is CAplus.

The mechanisms and kinetics of condensation polymerization of dialkyldichlorosilanes were studied. The reactivities of the monomers were different under either concurrent or consecutive monomer addition Block copolymers were formed by sequential addition of monomers to polymer systems. Relative rates of monomer consumption were MePhSiCl₂ > hexylmethyldichlorosilane > Me₂SiCl₂ >> vinylmethyldichlorosilane; relative rates of monomer consumption during copolymerization were in a different order. General schemes were suggested for the reaction pathways, but the kinetics of the reaction were very complex; a kinetic scheme could not be derived.

Advances in Chemistry Series published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Synthetic Route of 14799-94-1.

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

Gauthier, S. published the artcileThe effect of phase-transfer catalysts on polysilane formation, Quality Control of 14799-94-1, the publication is Macromolecules (1989), 22(5), 2213-18, database is CAplus.

Polysilanes are most often prepared by a Wurtz-type coupling of organodichlorosilanes with Na in refluxing PhMe. The addition of a catalytic amount of crown ether to the reaction mixture increases the rate of disappearance of the monomer with increasing crown ether concentration, suggesting that anionic species are involved in the polymerization mechanism. Higher yields of polymer relative to cyclic material were obtained, and the polymer displays a monomodal distribution. The presence of cryptand has similar effects although some degradation of the polymer upon continued refluxing of the reaction mixture was observed Degradation experiments on poly(n-hexylmethylsilane) with Na in refluxing PhMe showed that the polymer degraded to cyclics in a few minutes with cryptand but not with crown ether.

Macromolecules published new progress about 14799-94-1. 14799-94-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(hexyl)(methyl)silane, and the molecular formula is C7H16Cl2Si, Quality Control of 14799-94-1.

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

Song, W. published the artcileMicroscopic and Macroscopic Characterization of Organosilane-Functionalized Nanocrystalline NaZSM-5, Computed Properties of 14799-93-0, the publication is Langmuir (2005), 21(15), 7009-7014, database is CAplus and MEDLINE.

Nanocrystalline NaZSM-5 zeolites with systematically varied particle sizes (15, 60, and 200 nm) were functionalized with organosilanes. Through the systematic variation of particle size and therefore external surface area of NaZSM-5, the extent of functionalization and location of functional groups were spectroscopically verified. ²⁹Si magic-angle spinning (MAS) NMR and Fourier transform IR (FTIR) spectroscopy provided conclusive evidence that the silanol groups located on the external surface of NaZSM-5 were functionalized through reaction with the organosilanes. The ²⁹Si NMR results provided quant. information about the extent of functionalization on NaZSM-5. A nitroxide spin label was adsorbed on the external surface of NaZSM-5 to probe the surface properties by ESR (EPR) spectroscopy. The macroscopic and microscopic properties, such as the behavior of functionalized NaZSM-5 in different solvents, and the sp. surface areas were also investigated. The hydrophobicity of the functionalized NaZSM-5 was found to increase relative to the parent NaZSM-5 as expected for an organic surface coating.

Langmuir published new progress about 14799-93-0. 14799-93-0 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(methyl)(octyl)silane, and the molecular formula is C12H16N2O2, Computed Properties of 14799-93-0.

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

Williams, A. H. published the artcileNew organic sulfur vesicants. II. Analogues of 2,2′-dichlorodiethyl sulfide and 2,2′-di(2-chloroethylthio)diethyl ether, Related Products of chlorides-buliding-blocks, the publication is Journal of the Chemical Society (1948), 38-42, database is CAplus and MEDLINE.

MeCH.CH₂.O (680 g.), introduced at the rate of 0.7 cc./min., and H₂S (throughput 45 l./h.) at 60° give 948 g. of product which yields 488 g. 2-hydroxy-1-propanethiol, b₈ 44.5-5°, n¹⁸_D 1.4850, and 390 g. 2,2′-dihydroxydipropyl sulfide (I), b₄ 125°. ClCH₂CHMeOH (b. 126-8°) and Na₂S in EtOH, refluxed 10 min., give I. I (50 g.) in 200 cc. CHCl₃, treated dropwise with 62 cc. SOCl₂ and refluxed 30 min., gives bis(2-chloropropyl) sulfide, b₁₀ 105°, m. -40°. EtCHO (58 g.) in 300 cc. AcOEt at -5°, treated dropwise (3 h.) with 45 g. Br in 100 cc. AcOEt, and the mixture poured into 500 cc. absolute EtOH and kept 18 h. at room temperature, give CHMeBrCH(OEt)₂, b₁₃ 67°; reaction with HSC₂H₄OH in EtONa-EtOH (refluxing 25 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde di-Et acetal, b_0.5 87°; hydrolysis of 40 g. with 200 cc. 3% HCl (24 h.) gives α-(2-hydroxyethylmercapto)propionaldehyde, an oil, reduction of which with (iso-PrO)₃Al gives 2-hydroxyethyl 2-hydroxyisopropyl sulfide, b₅ 136-7°; SOCl₂ yields 2-chloroethyl 2-chloroisopropyl sulfide, b₇ 88°, b₁₂ 105°, m. -24.5° (sulfilimine, m. 132°). S(CH₂CH₂SCH₂CH₂OH)₂ (II) (C.A. 16, 409) and SOCl₂ in CHCl₃ (refluxed 30 min.) give 2,2′-bis(2-chloroethylmercapto)diethyl sulfide (III), m. 73-5° (chloroplatinate, mustard color, m. 136°; piperidide picrate, m. 180° (decomposition)). The Cl atom of III is removed by AgNO₃ in boiling EtOH in 5 min. and by boiling H₂O in 45 min. The following ethers were prepared from III and the appropriate phenol in EtOH-EtONa: diphenoxy, m. 59°; di-2-naphthoxy, m. 122°; bis(sym-tribromophenoxy), m. 107°; dieugenoxy, m. 86°; bis(phenylmercapto), m. 92-4°. III and NaI in MeOH, refluxed 10 min., give the bis(2-iodoethyl) analog, m. 102-3°; bis(2-thiocyanatoethyl) analog, m. 52°; the bis(2-cyanoethyl) analog could not be prepared, the reaction yielding (NCCH₂CH₂)₂S and dithiane. II and PBr₃ in CHCl₃, refluxed 2 h., give the bis(2-bromoethyl) analog, b_3.5 158-63.5° [bis(1-naphthylurethane), m. 150-2°]. (ClCH₂CH₂)₂S₂ b₅ 132-4° [bis(sym-tribromophenoxy) analog, m. 76°; dieugenoxy analog, m. 97°]. III in AcOH, treated with 6 mols. 30% H₂O₂ (1 h.) gives 2,2′-bis(2-chloroethylsulfonyl)diethyl sulfone, m. 174.5°; 2,2′-bis(2-hydroxyethylmercapto)diethyl sulfoxide, m. 57°; the sulfone m. 85-6°; the disulfide m. 79-81°; 2,2′-bis(2-chloroethylmercapto)diethyl sulfoxide, m. 63°; the sulfone m. 107-9°; 2,2′-bis(2-hydroxypropylmercapto)diethyl sulfide, m. 59°; di-2-Cl analog, m. 43.5°; 2,3-bis(2-hydroxyethylmercapto)-1,4-dioxane, oily [bis(1-naphthylurethane), m. 152°]; 2,3-bis(2-chloroethylmercapto)-1,4,-dioxane, b₁₅ 138-41°. 2-Hydroxyethyl 2-hydroxypropyl sulfide, b₈ 154°; 2-chloroethyl 2-chloropropyl sulfide, b₄ 88°, m. -23°. 2,2′-Bis(2-hydroxypropylmercapto)diethyl ether, b₅ 217-18°; di-2-Cl analog, b_0.02 95-8°. 2,2′-Bis(2-hydroxyethymercapto)dipropyl sulfide, b_1.5 240°; di-2-Cl analog. 2,2′-Bis(2-hydroxypropylmercapto)dipropyl sulfide, b_0.5 210°; di-2-Cl analog, b_0.02 108-9° (slight decomposition). If mustard gas is assigned an empirical vesicant power of 100, these compounds show values of 10 to 50.

Journal of the Chemical Society published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C5H2ClF3N2, Related Products of chlorides-buliding-blocks.

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

Bubert, Christian published the artcileSynthesis of aromatase inhibitors and dual aromatase steroid sulfatase inhibitors by linking an arylsulfamate motif to 4-(4H-1,2,4-triazol-4-ylamino)benzonitrile: SAR, crystal structures, in vitro and in vivo activities, Computed Properties of 33697-81-3, the publication is ChemMedChem (2008), 3(11), 1708-1730, database is CAplus and MEDLINE.

4-(((4-Cyanophenyl)(4H-1,2,4-triazol-4-yl)amino)methyl)phenyl sulfamate (I) was the first dual aromatase-sulfatase inhibitor (DASI) reported. Several series of its derivatives with various linker systems between the steroid sulfatase (STS) and the aromatase inhibitory pharmacophores were synthesized and evaluated in JEG-3 cells. The X-ray crystal structures of the aromatase inhibitors, DASI precursors II (n = 2, R¹ = R² = H) and III, and DASI II (n = 5, R¹ = H, R² = SO₂NH₂) were determined Nearly all derivatives show improved in vitro aromatase inhibition over I but decreased STS inhibition. The best aromatase inhibitor is II (n = 2, R¹ = Cl, R² = H) (IC₅₀ = 0.26 nM) and the best DASI is II (n = 2, R¹ = Cl, R² = SO₂NH₂) (IC_50aromatase = 0.45 nM, IC_50STS = 1200 nM). SAR for aromatase inhibition shows that compounds containing an alkylene- and thioether-based linker system are more potent than those that are ether-, sulfone-, or sulfonamide-based, and that the length of the linker has a limited effect on aromatase inhibition beyond two methylene units. Compounds II (R² = SO₂NH₂: n = 2, R¹ = H; n = 2, R¹ = Cl; n = 3, R¹ = H, n = 4, R¹ = H) were studied in vivo (10 mg kg^-1, single, p.o.). The most potent DASI is II (n = 2, R¹ = H, R² = SO₂NH₂), which inhibited PMSG-induced plasma estradiol levels by 92% and liver STS activity by 98% 3h after dosing. These results further strengthen the concept of designing and developing DASIs for potential treatment of hormone-related cancers.

ChemMedChem published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Computed Properties of 33697-81-3.

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

Linghu, Xin published the artcileDevelopment of a Practical Synthesis of ERK Inhibitor GDC-0994, SDS of cas: 1263414-46-5, the publication is Organic Process Research & Development (2017), 21(3), 387-398, database is CAplus.

The process development of a synthetic route to manufacture ERK inhibitor GDC-0994, I, on multikilogram scale is reported herein. The API was prepared as the corresponding benzenesulfonate salt in 7 steps and 41% overall yield. The synthetic route features a biocatalytic asym. ketone reduction, a regioselective pyridone S_N2 reaction, and a safe and scalable tungstate-catalyzed sulfide oxidation The end-game process involves a telescoped S_NAr/desilylation/benzenesulfonate salt formation sequence. Finally, the development of the API crystallization allowed purging of process-related impurities, obtaining >99.5A% HPLC and >99% ee of the target mol.

Organic Process Research & Development published new progress about 1263414-46-5. 1263414-46-5 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Alkenyl,Benzene, name is 4-Chloro-3-fluorostyrene, and the molecular formula is C8H6ClF, SDS of cas: 1263414-46-5.

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