Day: November 10, 2022

Zhong, Bingwen published the artcileBinuclear copper iodine cluster-based coordination sheets as photocatalysts for decarboxylative cyanation, HPLC of Formula: 104-01-8, the main research area is copper iodine cluster pyridylbenzene MOF preparation photocatalyst decarboxylative cyanation; crystal structure copper iodine cluster pyridylbenzene coordination sheet.

The authors synthesized two new MOFs (Cu-Tpxa-1 and Cu-Tpxa-2) that were used as heterogeneous photocatalysts, combining photocatalysis and Cu catalysis to achieve decarboxylative radical cyanation reactions. This new heterogeneous catalysis method optimized the redox properties and excited-state lifetimes, providing a new idea for exploring photocatalytic mechanisms.

Chemical Communications (Cambridge, United Kingdom) published new progress about Crystal structure. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, HPLC of Formula: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sbaraglini, Maria L. published the artcileLipase catalyzed synthesis of alkyl phenylacetates with anticonvulsant activity, SDS of cas: 104-01-8, the main research area is alkyl phenylacetate preparation mol docking anticonvulsant; phenylacetic acid esterification lipase catalyst.

Despite the wide spectra of available antiepileptic drugs, one third of the patients still suffer from drug-resistant epilepsy, justifying the ongoing search of novel therapies. The anticonvulsant activity of Pr 4-hydroxybenzoate was previously identified through in silico screening. Here, Candida antarctica B (CAL B) lipase was employed as biocatalyst for the enzymic synthesis of a series of alkyl phenylacetates I (R = H, 4-OH, 4-MeO, 4-NH2, 4-NO2; R1 = Et, Pr) which, based on their mol. similarity to propylparaben, were tested in two acute mice models of seizure (maximal electroshock seizure and s.c. pentylenetetrazol tests). Mol. docking was later applied to explain the observed activities. All the synthesized compounds displayed some degree of protective activity in the maximal electroshock seizure model, whereas none of them showed protection against pentylenetetrazol-induced convulsions. Et 4-methoxyphenylacetate and Pr phenylacetate showed the most promising in vivo results. In consistence with the observed anticonvulsant effects, Pr phenylacetate obtained the best predicted binding energy among the synthesized alkyl phenylacetates.

Latin American Journal of Pharmacy published new progress about Anticonvulsants. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, SDS of cas: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Jiaqin published the artcileInvestigation of Deep Eutectic Solvent-Based Microwave-Assisted Extraction and Efficient Recovery of Natural Products, Application of 1-Methylurea, the main research area is deep eutectic solvent microwave assisted natural.

A systematic study of the principles of deep eutectic solvent microwave-assisted extraction (DES-MAE) was performed. It was found that the heating rates of most DESs decreased (heat capacity increased) under microwave irradiation with increasing water content, allowing high-efficiency extraction for thermally sensitive compounds In addition, DESs containing carboxylic acids reacted with hydroxyl groups of sugar and choline chloride, resulting in cell wall destruction and inhibition of cellulose, hemicellulose and lignin reconnection in cell walls through hydrogen bonds, thus leading to better extraction performance. This was verified by extracting anthraquinones from rheum palmatum by using DES-MAE and optimizing extraction conditions. DES with citric acid as the hydrogen bonding donor gave the highest extraction efficiency under the optimized conditions. In addition, anthraquinones in the DES extract were recovered by using three kinds of silica modified by different functional groups. The results showed that material containing a Ph group is beneficial to the recovery of anthraquinones in acid-based DESs, because it can facilitate strong hydrophobic and π-π interactions. This study showcased the green chem. applications of DES-MAE in laboratory and industrial alike, and demonstrates the recovery of natural products from DES extracts The findings also provide valuable information for green extraction, modification, and applications of cellulose, hemicellulose and lignin.

ACS Sustainable Chemistry & Engineering published new progress about Biomass. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Application of 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yu, Zhifeng published the artcileDiscovery and characterization of bromodomain 2-specific inhibitors of BRDT, Quality Control of 5961-59-1, the main research area is carboximido indazole preparation bromodomain inhibitor SAR mol docking; BET bromodomains; DNA-encoded chemistry; male contraceptive; small-molecule inhibitors.

To assess the contribution of each BRDT bromodomain, collection of DNA-encoded chem. libraries I [R = Me, MeO; R1 = 2,4-dimethylphenyl, 4-amino-2-methyl-Ph, 1-methylindol-2-yl, etc.] II [R2 = Me, Et, i-Pr; R3 = acetamido, [4-(methylcarbamoyl)benzoyl]amino; R4 = 6-amino-3-pyridyl, 2-aminopyrimidin-5-yl, 6-amino-4-methyl-3-pyridyl, 6-amino-2-methyl-3-pyridyl] and III [R5 = R6 = R7 = H, Me; R8 = H, acetamido, methylcarbamoyl, benzamido; R9 = H, Me, MeO] for BRDT-BD1 and BRDT-BD2 binders was screened. High-enrichment hits was identified and resynthesized off-DNA and examined for their ability to compete with JQ1 in BRDT and BRD4 bromodomain AlphaScreen assays. These studies identified I [R = Me, R1 = 4-amino-2-methyl-phenyl] as a selective BRDT-BD2 inhibitor with low nanomolar potency and >1,000-fold selectivity over BRDT-BD1. Structure-activity relationship studies of I [R = Me, R1 = 4-amino-2-methyl-phenyl] produced a series of addnl. BRDT-BD2/BRD4-BD2 selective inhibitors, including III [R5 = Me, R6 = R7 = H, R8 = acetamido, R9 = Me], a truncated analog of I [R = Me, R1 = 4-amino-2-methyl-phenyl] with similar activity, and II [R2 = Me, R3 = [4-(methylcarbamoyl)benzoyl]amino, R4 = 6-amino-4-methyl-3-pyridyl] an analog with sixfold selectivity for BRDT-BD2 vs. BRD4-BD2. BROMOscan bromodomain profiling confirmed the great affinity and selectivity of I [R = Me, R1 = 4-amino-2-methyl-phenyl] and III [R5 = Me, R6 = R7 = H, R8 = acetamido, R9 = Me] on all BET BD2 vs. BD1 with the highest affinity for BRDT-BD2. Cocrystals of BRDT-BD2 with CDD-1102 and CDD-1302 were determined at 2.27 and 1.90 Å resolution, resp., and revealed BRDT-BD2 specific contacts that explain the high affinity and selectivity of these compounds These BD2-specific compounds and their binding to BRDT-BD2 are unique compared with recent reports and enabled further evaluation of their nonhormonal contraceptive potential in-vitro and in-vivo.

Proceedings of the National Academy of Sciences of the United States of America published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Quality Control of 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Marinova, Maya published the artcileSynthesis, Resolution, Configurational Stability, and Properties of Cationic Functionalized [5]Helicenes, Safety of 1,3-Dimethoxybenzene, the main research area is helicene dye preparation resolution configurational stability.

A straightforward approach to the synthesis of two different series of cationic [5]helicenes has been achieved including, in dioxa series, the possibility to introduce aromatic functional groups at the periphery of the helical structure. While photophys. study highlights that the introduction of aryl substituents at position 23 of the helical moieties has a negligible impact on the optical properties, styryl substituents allow a welcoming extension of the conjugation pathways. Finally, a red shift of the optical properties was evidenced upon introduction of nitrogen atoms in the helicene scaffold, leading to particularly good fluorescence efficiencies in the red domain for a helicenic dye. Detailed information on racemization kinetics was collected for the most stable species upon direct high-performance liquid chromatog. (HPLC) resolution or, when configurational lability was too high, through VT-HPLC anal. on the chiral stationary phase (ΔG‡ values ranging from 85.0 to 137.1 kJ·mol-1 and above).

Journal of Organic Chemistry published new progress about Activation enthalpy (for racemization). 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Safety of 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Karmel, Caleb published the artcileMechanism of the Iridium-Catalyzed Silylation of Aromatic C-H Bonds, Category: isoquinoline, the main research area is arene silylation mechanism iridium catalysis.

Phenanthroline ligands and [Ir(cod)(OMe)]2 form complexes that catalyze the silylation of aromatic and aliphatic C-H bonds. However, no exptl. data on the identity of complexes related to the mechanism of this process or the mechanisms by which they react to functionalize C-H bonds have been reported. Herein, we describe our studies on the mechanism of the iridium-catalyzed silylation of aryl C-H bonds. The resting state of the catalyst is an iridium disilyl hydride complex (phenanthroline)Ir(SiMe(OTMS)2)2(H)(L), in which L varies with the arene and additives. An iridium disilyl hydride complex was isolated, characterized, and allowed to react with arenes to form aryl silanes. The kinetics of the reactions of electron-rich and electron-poor arenes showed that the rate-limiting step varies with the electronic properties of the arene. Computational studies on related iridium silyl complexes revealed that the high activity of iridium complexes with sterically encumbered phenanthroline ligands is due to a change in the number of silyl groups bound to iridium between the resting state of the catalyst containing the hindered phenanthroline and that containing less hindered phenanthroline.

Journal of the American Chemical Society published new progress about C-H bond activation. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Guangzhe published the artcileStructure-activity relationships study of neolamellarin A and its analogues as hypoxia inducible factor-1 (HIF-1) inhibitors, Computed Properties of 104-01-8, the main research area is neolamellarin A derivative preparation HIF1 inhibitory activity SAR; Anti-tumor; Hypoxia inducible factor (HIF)-1; Marine alkaloids; Neolamellarin A; Structure-activity relationship.

The novel marine pyrrole alkaloid neolamellarin A derived from sponge has been shown to inhibit hypoxia-induced HIF-1 activity. In this work, we designed and synthesized neolamellarin A (I) and its series of derivatives by a convergent synthetic strategy. The HIF-1 inhibitory activity and cytotoxicity of these compounds were evaluated in Hela cells by dual-luciferase reporter gene assay and MTT assay, resp. The results showed that neolamellarin A (IC50 = 10.8 ± 1.0 μM) and compound II (IC50 = 11.9 ± 3.6 μM) had the best HIF-1 inhibitory activity and low cytotoxicity. Our SAR research focused on the effects of key regions aliphatic carbon chain length, aromatic ring substituents and C-7 substituent on biol. activity, providing a basis for the subsequent research on the development of novel pyrrole alkaloids as HIF-1 inhibitors and design of small mol. probes for target protein identification.

Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Daneshmand, Pargol published the artcileCyclic Ureate Tantalum Catalyst for Preferential Hydroaminoalkylation with Aliphatic Amines: Mechanistic Insights into Substrate Controlled Reactivity, Synthetic Route of 5961-59-1, the main research area is cyclic ureate tantalum catalyst preferential hydroaminoalkylation aliphatic amine.

The efficient and catalytic amination of unactivated alkenes with simple secondary alkyl amines is preferentially achieved. A sterically accessible, N,O-chelated cyclic ureate tantalum catalyst was prepared and characterized by X-ray crystallog. This optimized catalyst can be used for the hydroaminoalkylation of 1-octene with a variety of aryl and alkyl amines, but notably enhanced catalytic activity can be realized with challenging N-alkyl secondary amine substrates. This catalyst offers turnover frequencies of up to 60 h-1, affording full conversion at 5 mol% catalyst loading in approx. 20 min with these nucleophilic amines. Mechanistic investigations, including kinetic isotope effect (KIE) studies, reveal that catalytic turnover is limited by protonolysis of the intermediate 5-membered azametallacycle. A Hammett kinetic anal. shows that catalytic turnover is promoted by electron rich amine substrates that enable catalytic turnover. This more active catalyst is shown to be effective for late stage drug modification.

Journal of the American Chemical Society published new progress about Alkenes Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent) (unactivated). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Synthetic Route of 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Vodnala, Nagaraju published the artcileLewis Acid-Promoted Typical Friedel-Crafts Reactions Using DMSO as a Carbon Source, Safety of 1,3-Dimethoxybenzene, the main research area is diarylmethane preparation; arene dimethyl sulfoxide Friedel Craft reaction Lewis acid catalyst.

A mild and efficient synthetic protocol for the synthesis of sym. and unsym. diarylmethanes (DAMs) R1CH2R2 (R1 = 4-methoxyphenyl, 2,4,6-trimethylphenyl, 1H-indol-3-yl, 4-hydroxy-2-oxo-2H-chromen-3-yl, etc.; R2 = 4-hydroxy-3,5-dimethylphenyl, 5-methylfuran-2-yl, 4-amino-3,5-bis(propan-2-yl)phenyl, etc.) was reported. Using DMSO as the C1 source and TMSOTf as the Lewis acid promoter, a series of functionalized sym. and unsym. DAMs was synthesized in high yields. Gratifyingly, DMSO plays a dual role as a solvent and a C1 source and can also be replaced with its deuterated counterpart, DMSO-d6, enabling the incorporation of the -CD2 moiety into the diarylmethane skeleton. The developed approach has been applied to a wide range of substrates having various functional groups, and this protocol has also been extended to the synthesis of an anti-breast cancer agent and an anticoagulant agent using common feedstock compounds In addition, the postulated mechanism has been explicitly demonstrated via control experiments

Journal of Organic Chemistry published new progress about Anticoagulants. 151-10-0 belongs to class isoquinoline, name is 1,3-Dimethoxybenzene, and the molecular formula is C8H10O2, Safety of 1,3-Dimethoxybenzene.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem