Month: December 2022

Heng, Hao published the artcileCombining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model, SDS of cas: 117738-74-6, the publication is European Journal of Medicinal Chemistry (2019), 248-267, database is CAplus and MEDLINE.

FLT3 mutation is among the most common genetic mutations in acute myeloid leukemia (AML), which is also related with poor overall survival and refractory in AML patients. Recently, FLT3 inhibitors have been approved for AML therapy. Herein, a series of new compounds with pyrazole amine scaffold was discovered, which showed potent inhibitory activity against FLT3-ITD and significant selectivity against both FLT3-ITD and AML cells expressing FLT3-ITD. Compound 46, possessing the most promising cellular activity, blocked the autophosphorylation of FLT3 pathway in MV4-11 cell line. Furthermore, the apoptosis and down regulation of P-STAT5 were also observed in tumor cells extracted from the MV4-11 cell xenografts model upon compound 46 treatment. Compound 46 was also metabolically stable in vitro and suppressed tumor growth significantly in MV4-11 xenografts model in vivo. Compound 46 showed no toxicity to the viscera of mice and caused no decrease in body weight of mice. In conclusion, the results of this study could provide valuable insights into discovery of new FLT3 inhibitors, and compound 46 was worthy of further development as potential drug candidate to treat AML.

European Journal of Medicinal Chemistry published new progress about 117738-74-6. 117738-74-6 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Bromide,Benzene,Ester, name is Methyl 4-bromo-3-chlorobenzoate, and the molecular formula is C8H6BrClO2, SDS of cas: 117738-74-6.

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

Zhou, Li published the artcileN-heterocyclic olefins catalyzed ring-opening polymerization of N-tosyl aziridines, Formula: C7H13ClNNaO5S, the publication is European Polymer Journal (2020), 110046, database is CAplus.

A N-heterocyclic olefins (NHOs) catalyzed ring-opening polymerization of N-tosyl aziridines has been developed under metal-free and mild conditions. The NHO serves as a highly efficient and versatile organocatalyst for the synthesis of linear poly(aziridine)s, delivering the corresponding polymers with high chain-end fidelity, controlled mol. weights (up to 83 kg/mol) and narrow mol. weight distributions (ETH = 1.10-1.16). Based on MALDI-TOF MS and ¹H NMR spectroscopies’ results, an anionic ring-opening polymerization (AROP) mechanism has been proposed.

European Polymer Journal published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C5H6BNO2, Formula: C7H13ClNNaO5S.

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

Liu, Limin published the artcileDesign, synthesis and antitumor activity evaluation of trifluoromethyl-substituted pyrimidine derivatives, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 128268, database is CAplus and MEDLINE.

In order to find efficient new antitumor drugs, a series of novel trifluoromethyl-substituted pyrimidine derivatives were designed and synthesized and the bioactivity against four human tumor cells (PC-3, MGC-803, MCF-7 and H1975) was evaluated by MTT assay. Compound I displayed potent anti-proliferative activity on H1975 (IC₅₀ = 2.27 μM), which was better than the pos. control 5-FU (IC₅₀ = 9.37 μM). Further biol. evaluation studies showed that compound I apoptosis of H1975 cells and arrested the cell cycle at G2/M phase. Furthermore, compound I induced H1975 cells apoptosis through increasing the expression of pro-apoptotic proteins Bax and p53 and down-regulating the anti-apoptotic protein Bcl-2. In addition, compound I was able to be tightly embedded in the active pocket of EGFR. These results demonstrated that compound I has a potential as a lead compound for further investigation.

Bioorganic & Medicinal Chemistry 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, Application of 1-(Chloromethyl)-4-(trifluoromethyl)benzene.

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

Liu, Limin published the artcileDesign, synthesis and antitumor activity evaluation of trifluoromethyl-substituted pyrimidine derivatives, HPLC of Formula: 620-20-2, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 128268, database is CAplus and MEDLINE.

In order to find efficient new antitumor drugs, a series of novel trifluoromethyl-substituted pyrimidine derivatives were designed and synthesized and the bioactivity against four human tumor cells (PC-3, MGC-803, MCF-7 and H1975) was evaluated by MTT assay. Compound I displayed potent anti-proliferative activity on H1975 (IC₅₀ = 2.27 μM), which was better than the pos. control 5-FU (IC₅₀ = 9.37 μM). Further biol. evaluation studies showed that compound I apoptosis of H1975 cells and arrested the cell cycle at G2/M phase. Furthermore, compound I induced H1975 cells apoptosis through increasing the expression of pro-apoptotic proteins Bax and p53 and down-regulating the anti-apoptotic protein Bcl-2. In addition, compound I was able to be tightly embedded in the active pocket of EGFR. These results demonstrated that compound I has a potential as a lead compound for further investigation.

Bioorganic & Medicinal Chemistry Letters 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

Ran, Fen published the artcileNano vanadium nitride incorporated onto interconnected porous carbon via the method of surface-initiated electrochemical mediated ATRP and heat-treatment approach for supercapacitors, Formula: C19H34ClN, the publication is Electrochimica Acta (2017), 405-413, database is CAplus.

A neg. electrode material of nano V nitride/interconnected porous C (Nano-VN/IPC) is fabricated via a novel method combining surface-initiated electrochem. mediated ATRP and heat-treatment process. The structural and composition characterization display that a low crystallinity of VN nanoparticles was obtained, which distributes uniformly in the interconnected pores of the C scaffold materials. The high-distribution of nano-VN particles in the interconnected pores significantly enhances the usage efficiency of the electrochem.-active materials to ensure the high electrochem. performance of the electrode materials. The interconnected pore structure is convenient for diffusion and transfer of electrolyte ions during charging-discharging process. The Nano-VN/IPC electrodes exhibit a high specific capacitance of 284.0 F/g at 0.5 A/g in 2 M KOH aqueous electrolyte with a low resistance and good rate capability. An asym. supercapacitor is assembled with Ni(OH)₂ and Nano-VN/IPC electrodes as the pos. and neg. electrodes. The device presents a high specific capacitance of 122 F/g at the c.d. of 0.5 A/g, and when the c.d. increases to 5 A/g the capacitance still remains 70 F/g. Remarkably, the device delivers an ultrahigh power d. of 35.6 Wh/kg at a power d. of 362.5 W/kg.

Electrochimica Acta published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Formula: C19H34ClN.

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

Li, Zhen published the artcileA tautomeric ligand enables directed C-H hydroxylation with molecular oxygen, Computed Properties of 939-99-1, the publication is Science (Washington, DC, United States) (2021), 372(6549), 1452-1457, database is CAplus and MEDLINE.

Hydroxylation of aryl carbon-hydrogen bonds with transition metal catalysts has proven challenging when oxygen is used as the oxidant. Here, we report a palladium complex bearing a bidentate pyridine/pyridone ligand that efficiently catalyzes this reaction at ring positions adjacent to carboxylic acids. IR, x-ray, and computational anal. support a possible role of ligand tautomerization from mono-anionic (L,X) to neutral (L,L) coordination in the catalytic cycle of aerobic carbon-hydrogen hydroxylation reaction. The conventional site selectivity dictated by heterocycles is overturned by this catalyst, thus allowing late-stage modification of compounds of pharmaceutical interest at previously inaccessible sites.

Science (Washington, DC, 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 C8H6ClF3, Computed Properties of 939-99-1.

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

Li, Zhen published the artcileA tautomeric ligand enables directed C-H hydroxylation with molecular oxygen, Computed Properties of 6313-54-8, the publication is Science (Washington, DC, United States) (2021), 372(6549), 1452-1457, database is CAplus and MEDLINE.

Hydroxylation of aryl carbon-hydrogen bonds with transition metal catalysts has proven challenging when oxygen is used as the oxidant. Here, we report a palladium complex bearing a bidentate pyridine/pyridone ligand that efficiently catalyzes this reaction at ring positions adjacent to carboxylic acids. IR, x-ray, and computational anal. support a possible role of ligand tautomerization from mono-anionic (L,X) to neutral (L,L) coordination in the catalytic cycle of aerobic carbon-hydrogen hydroxylation reaction. The conventional site selectivity dictated by heterocycles is overturned by this catalyst, thus allowing late-stage modification of compounds of pharmaceutical interest at previously inaccessible sites.

Science (Washington, DC, United States) published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, Computed Properties of 6313-54-8.

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

Kang, Dongwei published the artcileDiscovery of potent HIV-1 non-nucleoside reverse transcriptase inhibitors by exploring the structure-activity relationship of solvent-exposed regions I, COA of Formula: C9H5ClO4S, the publication is Chemical Biology & Drug Design (2019), 93(4), 430-437, database is CAplus and MEDLINE.

Two novel series of human immunodeficiency virus-1 (HIV-1) non-nucleoside reverse transcriptase inhibitors (NNRTIs) bearing a thiophene[3,2-d]pyrimidine scaffold and sulfonamide linker in the right wing have been identified, which demonstrated activity against the wild-type (WT) HIV-1 strain in MT-4 cells with inhibitory concentrations ranging from micromolar to submicromolar. Especially, against the mutant strains K103N and E138K, most compounds exhibited more potent activity than against WT HIV-1. Compound 7(I) (EC₅₀ = 0.014, 0.031 μM) achieved the most potent activity against the two mutants, being more effective than that of nevirapine (NVP, EC₅₀ = 7.572, 0.190 μM) and comparable to that of etravirine (ETV, EC₅₀ = 0.004, 0.014 μM). Mol. docking experiments on the novel analogs have also suggested that the extensive network of main chain hydrogen bonds are important in the binding mode, which may provide valuable insights for further optimization.

Chemical Biology & Drug Design published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, COA of Formula: C9H5ClO4S.

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

Wei, Xiaoxiao published the artcileAdsorption of pharmaceuticals and personal care products by deep eutectic solvents-regulated magnetic metal-organic framework adsorbents, Synthetic Route of 23616-79-7, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2020), 124808, database is CAplus.

The ecol. and human health threats brought by emerging pollutants are increasingly serious. Development of efficient removal methods is urgent. Herein, seven deep eutectic solvents (DESs) composed by quaternary ammonium salts and lactic acid or glycolic acid were synthesized and used to regulate magnetic (Fe₃O₄) metal organic framework (MUiO-66-NH₂) composites. The obtained nanoparticles (named as DES-MUiO-66-NH₂) were used as adsorbents to adsorb pharmaceuticals and personal care products (PPCPs). Langmuir isotherm model and pseudo-second-order kinetics model were suitable to analyze the adsorption process of DES-MUiO-66-NH₂ to PPCPs, indicated that the adsorption of PPCPs was chemisorption on homogeneous surface of DES-MUiO-66-NH₂ adsorbents. Under the optimal conditions, the adsorption capacity of DES-MUiO-66-NH₂ toward ofloxacin and mefenamic acid reached up to 97.60 and 79.22 mg/g, resp. Mechanism exploration indicated that DES-MUiO-66-NH₂ selectively adsorbed PPCPs through electrostatic interaction, chelation, π-π stacking, hydrophobic interaction and hydrogen bonding. D. functional theory proved the chelation through theor. calculation Selective experiments manifested that the structures of DESs directly determined the specificity of DES-MUiO-66-NH₂ for different PPCPs, and the investigation of structure-activity relationship provided new ideas for designing efficient tailor-made adsorbents for PPCPs. The proposed PPCPs removal approach focused on the guiding role of DESs in selective adsorption. And this green DESs regulation idea provided more options for the synthesis of high-efficiency and functional adsorbents for emerging pollutants.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C15H14O3, Synthetic Route of 23616-79-7.

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

Wei, Xiaoxiao published the artcileFabrication of di-selective adsorption platform based on deep eutectic solvent stabilized magnetic polydopamine: Achieving di-selectivity conversion through adding CaCl₂, HPLC of Formula: 23616-79-7, the publication is Chemical Engineering Journal (Amsterdam, Netherlands) (2021), 421(Part_2), 127815, database is CAplus.

Seeking effective synthesis strategy of adsorbents with di-selective adsorption ability to remove dyes in wastewater is of great significance for solving the increasing environmental problems. Hence, three deep eutectic solvents (DESs) were synthesized and polymerized on the surface of magnetic (Fe3O4) polydopamine (MPDA), in which DES acted as both stabilizer and surface modifier for PDA coating. The fabricated nanoparticles (named as MPDA-PDES) were used as adsorbents for selective adsorption of binary dyes solution Langmuir and Dubinin-Radushkevich isotherm models were suitable to describe adsorption process of malachite green (MG) and sunset yellow FCF (SY) on MPDA-PDES1, resp., indicated that the adsorption of MG was monolayer uptake, and that of SY was phys. adsorption. The effect of solution pH and ionic strength suggested that electrostatic interaction was mainly adsorption driving force. Interestingly, the addition of CaCl₂ in adsorption system realized dynamic transformation from selective adsorption of MG by MPDA-PDES1 to selective adsorption of SY. And selectivity factor reduced from 37.57 to 0.30. MPDA-PDES1 adsorbent possessed excellent anti-interference ability, regeneration and reusability, can be continuously reused six times and adsorption capacity remained basically unchanged. The adsorption of MG-SY from synthetic wastewater manifested that MPDA-PDES1 had unlimited potential for selective removal of target dyes in actual wastewater. Mechanism exploration revealed that MPDA stabilized by DES containing long-chain alkyl groups exhibited better selective adsorption capacity for cationic dyes in binary dyes solutions This was due to the synergistic effect of electrostatic interaction, hydrophobic interaction, hydrogen bonding and π-π stacking between MPDA-PDES1 and dyes. Therefore, proposed DES-based PDA modification strategy improved the stability and reusability of PDA materials, and achieved outstanding selective adsorption ability because of tailorability of DES structure, which provided new ideas for design and synthesis of high-efficiency adsorbents.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C18H28N2O7, HPLC of Formula: 23616-79-7.

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