Day: April 2, 2022

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3395-91-3, is researched, Molecular C4H7BrO2, about Catalytic Asymmetric Homologation of Ketones with α-Alkyl α-Diazo Esters, the main research direction is keto esters chemoselective regioselective enantioselective preparation; alkyl diazoester ketone scandium catalyst homologation chemoselective regioselective enantioselective.Quality Control of Methyl 3-bromopropanoate.

The homologation of ketones with diazo compounds was a useful strategy to synthesize one-carbon chain-extended acyclic such as PhC(O)CMeCO2MeR [R = allyl, Bn, CH2(2-naphthyl), etc.] or ring-expanded cyclic ketones e.g., I. However, the asym. homologation of acyclic ketones with α-diazo esters remains a challenge due to the lower reactivity and complicated selectivity. Herein, the enantioselective catalytic homologation of acetophenone and related derivatives with α-alkyl α-diazo esters was reported utilizing a chiral scandium(III) N,N’-dioxide as the Lewis acid catalyst. This reaction supplies a highly chemo-, regio-, and enantioselective pathway for the synthesis of optically active β-keto esters with an all-carbon quaternary center through highly selective alkyl-group migration of the ketones. Moreover, the ring expansion of cyclic ketones was accomplished under slightly modified conditions, affording a series of enantioenriched cyclic β-keto esters. D. functional theory calculations was carried out to elucidate the reaction pathway and possible working models that could explain the observed regio- and enantioselectivity.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Electric Literature of C4H7BrO2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about A bright NIR-II fluorescent probe for breast carcinoma imaging and image-guided surgery. Author is Zeng, Xiaodong; Xie, Liru; Chen, Deliang; Li, Shanshan; Nong, Jinxia; Wang, Bo; Tang, Lin; Li, Qianqian; Li, Yang; Deng, Zixin; Hong, Xuechuan; Wu, Mingfu; Xiao, Yuling.

A novel bright near-IR II (NIR-II, 1000-1700 nm) fluorescent probe with excellent water-solubility, superior photostability, and excellent in vitro and in vivo biocompatibility was facilely synthesized for in vivo biomedical imaging of xenograft breast tumor and chem. induced spontaneous breast carcinoma. To the best of our knowledge, it is the first time that the superior practical applications of this NIR-II probe in dimethylbenzanthracene (DMBA)-induced rat mammary carcinoma imaging and image-guided rat carcinoma surgery were demonstrated.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

HPLC of Formula: 1086138-36-4. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine, is researched, Molecular C44H69NP2, CAS is 1086138-36-4, about Synthons for carbide complex chemistry. Author is Reinholdt, Anders; Hill, Anthony F.; Bendix, Jesper.

The sterically accessible carbide complex, (Cy3P)Cl3RuC-PtCl(py)2, acts as a synthon for terminal and bridging carbide fragments that relocate to pincer and A-frame scaffolds upon ligand addition This concept, benefitting from coordination sphere selection as the concluding step, confronts traditional synthetic strategies and broadens the scope for carbide complexes.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Methyl 3-bromopropanoate(SMILESS: O=C(OC)CCBr,cas:3395-91-3) is researched.Quality Control of 4-Chloro-2-(pyrrolidin-1-yl)thiazole-5-carbaldehyde. The article 《Understanding the Effect of the Electron Spin Relaxation on the Relaxivities of Mn(II) Complexes with Triazacyclononane Derivatives》 in relation to this compound, is published in Inorganic Chemistry. Let’s take a look at the latest research on this compound (cas:3395-91-3).

Investigating the relaxation of water 1H nuclei induced by paramagnetic Mn(II) complexes is important to understand the mechanisms that control the efficiency of contrast agents used in diagnostic magnetic resonance imaging (MRI). Herein, a series of potentially hexadentate triazacyclononane (TACN) derivatives containing different pendant arms were designed to explore the relaxation of the electron spin in the corresponding Mn(II) complexes using a combination of 1H NMR relaxometry and theor. calculations These ligands include 1,4,7-triazacyclononane-1,4,7-triacetic acid (H3NOTA) and three derivatives in which an acetate group is replaced by sulfonamide (H3NO2ASAm), amide (H2NO2AM) or pyridyl (H2NO2APy) pendants, resp. The analog of H3NOTA containing three propionate pendant arms (H3NOTPrA) was also investigated. The x-ray structure of the derivative containing two acetate groups and a sulfonamide pendant arm [Mn(NO2ASAm)]- evidenced six-coordination of the ligand to the metal ion, with the coordination polyhedron being close to a trigonal prism. The relaxivities of all complexes at 20 MHz and 25° (1.1-1.3 mM-1 s-1) are typical of systems that lack water mols. coordinated to the metal ion. The nuclear magnetic relaxation profiles evidence significant differences in the relaxivities of the complexes at low fields (<1 MHz), which are associated with different spin relaxation rates. The zero field splitting (ZFS) parameters calculated using DFT and CASSCF methods show that electronic relaxation is relatively insensitive to the nature of the donor atoms. However, the twist angle of the two tripodal faces that delineate the coordination polyhedron, defined by the N atoms of the TACN unit (lower face) and the donor atoms of the pendant arms (upper face), has an important effect in the ZFS parameters. A twist angle close to the ideal value for an octahedral coordination (60°), such as that in [Mn(NOTPrA)]-, leads to a small ZFS energy, whereas this value increases as the coordination polyhedron approaches to a trigonal prism. As far as I know, this compound(3395-91-3)Name: Methyl 3-bromopropanoate can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Product Details of 3395-91-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Iodinated Cyanine Dyes for Fast Near-Infrared-Guided Deep Tissue Synergistic Phototherapy. Author is Cao, Jie; Chi, Jinnan; Xia, Junfei; Zhang, Yanru; Han, Shangcong; Sun, Yong.

Phototheranostics, which combines deep tissue imaging and phototherapy [photodynamic therapy (PDT) and/or photothermal therapy (PTT)] via light irradiation, is a promising strategy to treat tumors. Near-IR (NIR) cyanine dyes are researched as potential phototheranostics reagents for their excellent photophys. properties. However, the low singlet oxygen generation efficiency of cyanine dyes often leads to inadequate therapeutic efficacy for tumors. Herein, we modified an indocyanine green derivative Cy7 with heavy atom iodine to form a novel NIR dye CyI to improve the reactive oxygen species (ROS) production and heat generation while, at the same time, maintain their fluorescence characteristics for in vivo noninvasive imaging. More importantly, in vitro and in vivo therapeutic results illustrated that CyI could quickly and simultaneously generate enhanced ROS and heat to induce more cancer cell apoptosis and higher inhibition rates in deep HepG2 tumors than other noniodinated NIR dyes upon NIR irradiation Besides, low toxicity of the resulted iodinated NIR dyes was confirmed by in vivo biodistribution and acute toxicity. Results indicate that this low toxic NIR dye could be an ideal phototheranostics agent for deep tumor treatments. Our study presents a novel approach to achieve the fast-synergistic PDT/PTT treatment in deep tissues.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Name: Bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine, is researched, Molecular C44H69NP2, CAS is 1086138-36-4, about Pincer Ligand Enhanced Rhodium-Catalyzed Carbonylation of Formaldehyde: Direct Ethylene Glycol Production. Author is Meyer, Tim; Konrath, Robert; Kamer, Paul C. J.; Wu, Xiao-Feng.

Formaldehyde is one of the most important bulk chems. and is produced on a million tone scale (52 million tons in 2017).[1] Since the middle of the last century, the challenge has remained to produce the valuable ethylene glycol (EG) directly from the C1 building block formaldehyde in a single step. In the systems reported so far, the reaction conditions were very harsh, often with pressures above 400 bar. However, under milder conditions, the selectivity was on the side of glycol aldehyde (GA) and the hydrogenation product methanol. Only traces of EG could be generated in the presence of a Rh catalyst. Herein, the authors describe a new Rh catalyst system with pincer ligand, which allows the direct one pot synthesis of EG from easy to handle paraformaldehyde (PFA) at remarkable mild conditions (70 bar, 100°C) and overcomes the aforementioned limitations with yield up to 40%.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Methyl 3-bromopropanoate(SMILESS: O=C(OC)CCBr,cas:3395-91-3) is researched.Safety of 1,3,5,7-Tetramethyl-6-phenyl-2,4,8-trioxa-6-phosphaadamantane. The article 《Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human β-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor》 in relation to this compound, is published in Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:3395-91-3).

Recently, our group identified that harmine is able to induce β-cell proliferation both in vitro and in vivo, mediated via the DYRK1A-NFAT pathway. Since, harmine suffers from a lack of selectivity, both against other kinases and CNS off-targets, we therefore sought to expand structure-activity relationships for harmine’s DYRK1A activity, to enhance selectivity for off-targets while retaining human β-cell proliferation activity. We carried out optimization of the 9-N-position of harmine to synthesize 29 harmine-based analogs. Several novel inhibitors showed excellent DYRK1A inhibition and human β-cell proliferation capability. An optimized DYRK1A inhibitor, compound I, was identified as a novel, efficacious in vivo lead candidate. Compound I also demonstrates improved selectivity for kinases and CNS off-targets, as well as in vivo efficacy for β-cell proliferation and regeneration at lower doses than harmine. Collectively, these findings demonstrate that compound I is a much improved in vivo lead candidate as compared to harmine for the treatment of diabetes.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 254905-58-3, is researched, Molecular C13H24N2O3, about Discovery of Potent, Orally Bioavailable, Small-Molecule Inhibitors of WNT Signaling from a Cell-Based Pathway Screen, the main research direction is trisubstituted pyridine preparation bioavailability WNT signaling inhibitor antitumor.Recommanded Product: 254905-58-3.

WNT signaling is frequently deregulated in malignancy, particularly in colon cancer, and plays a key role in the generation and maintenance of cancer stem cells. The authors report the discovery and optimization of a 3,4,5-trisubstituted pyridine, 1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide (9), using a high-throughput cell-based reporter assay of WNT pathway activity. The authors demonstrate a twisted conformation about the pyridine-piperidine bond of (9) by small-mol. x-ray crystallog. Medicinal chem. optimization to maintain this twisted conformation, cognisant of physicochem. properties likely to maintain good cell permeability, led to 8-[3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4,5]decan-1-one (74) (CCT251545), a potent small-mol. inhibitor of WNT signaling with good oral pharmacokinetics. The authors demonstrate inhibition of WNT pathway activity in a solid human tumor xenograft model with evidence for tumor growth inhibition following oral dosing. This work provides a successful example of hypothesis-driven medicinal chem. optimization from a singleton hit against a cell-based pathway assay without knowledge of the biochem. target.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Safety of Methyl 3-bromopropanoate. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Directed Nickel-Catalyzed Diastereoselective Reductive Difunctionalization of Alkenyl Amines. Author is Zhao, Lei; Meng, Xiao; Zou, Yifeng; Zhao, Junsong; Wang, Lili; Zhang, Lanlan; Wang, Chao.

We report herein an intermol. syn-arylalkylation and alkenylalkylation of alkenyl amines with two different organohalides (iodides and bromides) using Ni(II) catalyst. The cleavable bidentate quinolinamide was utilized after extensive directing group screening to enable olefin difunctionalization with high levels of regio-, chemo-, and diastereocontrol. This general and practical protocol was compatible with α- or β-substituted terminal alkenes and internal alkenes, providing rapid access to branched aliphatic amines bearing two skipped and vicinal stereocenters with high diastereoselectivities that would otherwise be difficult to synthesize.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

SDS of cas: 3395-91-3. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about A nano-cocktail of an NIR-II emissive fluorophore and organoplatinum(II) metallacycle for efficient cancer imaging and therapy. Author is Ding, Feng; Chen, Zhao; Kim, Won Young; Sharma, Amit; Li, Chonglu; Ouyang, Qingying; Zhu, Hua; Yang, Guangfu; Sun, Yao; Kim, Jong Seung.

The scarcity of efficient imaging technologies for precise cancer treatment greatly drives the development of new nanotheranostic based platforms that enable both diagnostic and therapeutic functions, together in a single formulation. Owing to the complicated physiol. microenvironment, nanosystems designed with the possibility of noninvasive real-time monitoring of therapeutic progression in the second near-IR channel (NIR-II, 1000-1700 nm) could substantially improve the current cancer therapies. Herein, we design a novel NIR-II theranostic nanoprobe, PSY (size ∼110 nm), by incorporating organoplatinum(II) metallacycles P1 and an organic NIR-II mol. dye, SY1030, into the FDA-approved polymer Pluronic F127. Preliminary in vitro and in vivo studies suggest that PSY is capable of being internalized into glioma U87MG-cells with no significant internalization in non-cancerous tissues. In addition, it shows excellent photostability and minimal background for real-time monitoring the process of therapy in the NIR-II region. Furthermore, in U87MG xenografts and orthotopic breast tumor, PSY demonstrat significantly improved anticancer efficacy compared to a clin. approved Pt(II)-based anticancer drug, cisplatin. The engineered nano-cocktail PSY offers a simple strategy for delivering the organoplatinum(II) macrocycle P1 and NIR-II fluorophore SY1030 as a cocktail of diagnostic and therapeutic functions and highlights its promising capacity for future cancer treatment.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem