Day: April 15, 2022

Related Products of 57825-30-6. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1).

Inhibitors based on a benzo-fused spirocyclic oxazepine scaffold were discovered for stearoyl-CoA (CoA) desaturase 1 (SCD1) and subsequently optimized to potent compounds with favorable pharmacokinetic profiles and in vivo efficacy in reducing the desaturation index in a mouse model. Initial optimization revealed potency preferences for the oxazepine core and benzylic positions, while substituents on the piperidine portions were more tolerant and allowed for tuning of potency and PK properties. After preparation and testing of a range of functional groups on the piperidine nitrogen, three classes of analogs were identified with single digit nanomolar potency: glycine amides, heterocycle-linked amides, and thiazoles. Responding to concerns about target localization and potential mechanism-based side effects, an initial effort was also made to improve liver concentration in an available rat PK model. An advanced compound 17m with a 5-carboxy-2-thiazole substructure appended to the spirocyclic piperidine scaffold was developed which satisfied the in vitro and in vivo requirements for more detailed studies.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Manganese-catalysed benzylic C(sp3)-H amination for late-stage functionalization, published in 2018-06-30, which mentions a compound: 57825-30-6, mainly applied to regioselective benzylic amination manganese perchlorophthalocyanine catalyst, Electric Literature of C9H11Br.

Reactions that directly install nitrogen into C-H bonds of complex mols. are significant because of their potential to change the chem. and biol. properties of a given compound Although selective intramol. C-H amination reactions are known, achieving high levels of reactivity while maintaining excellent site selectivity and functional-group tolerance remains a challenge for intermol. C-H amination. Here, we report a manganese perchlorophthalocyanine catalyst [MnIII(ClPc)] for intermol. benzylic C-H amination of bioactive mols. and natural products that proceeds with unprecedented levels of reactivity and site selectivity. In the presence of a Bronsted or Lewis acid, the [MnIII(ClPc)]-catalyzed C-H amination demonstrates unique tolerance for tertiary amine, pyridine and benzimidazole functionalities. Mechanistic studies suggest that C-H amination likely proceeds through an electrophilic metallonitrene intermediate via a stepwise pathway where C-H cleavage is the rate-determining step of the reaction. Collectively, these mechanistic features contrast with previous base-metal-catalyzed C-H aminations and provide new opportunities for tunable selectivities.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

COA of Formula: C9H7NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Chemiluminescent system of 8-hydroxyquinoline N-oxide-cobalt(II)-hydrogen peroxide. Author is Wang, Lun; Zhu, Changqing; Wu, Jialiang; Tong, Hongwu; Rao, Congshu; Zhang, Sujun.

8-Hydroxyquinoline N-oxide, synthesized in authors’ laboratory, is used as an energy receptor in Co(II)-H2O2 system and high intensity chemiluminescence of the system is observed A method for the measurement of trace Co is proposed. The detection limit and the relative standard deviation are 8.0 × 10-6 mg/mL and 3.2%, resp. Trace Co in copper ore, pig-liver, and shrimps is determined with satisfactory results. The possible mechanism of the chemiluminescence system is discussed.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Ishikawa, Yuki; Miyamoto, Keiko; Horn, Ernst researched the compound: Nickel(ii)fluoridetetrahydrate( cas:13940-83-5 ).Related Products of 13940-83-5.They published the article 《Crystal structure of μ3-fluoro-tri-μ2-fluoro-tris(tetramethylethylene-diamine nickel(II)) fluoride trihydrate, [Ni3(tmen)3F5]+·F-·3H2O, C18H54F6N6Ni3O3》 about this compound( cas:13940-83-5 ) in Zeitschrift fuer Kristallographie – New Crystal Structures. Keywords: crystal structure nickel tetramethylethylenediamine fluoro bridged complex fluoride trihydrate; mol structure nickel tetramethylethylenediamine fluoro bridged complex fluoride trihydrate. We’ll tell you more about this compound (cas:13940-83-5).

The crystal structure of the title compound is herein given. The title compound was synthesized by a reaction of nickel difluoride tetrahydrate and N,N,N’,N’-tetramethylethylenediamine. The title compound is a fluoride bridged trinuclear complex. Crystallog. data are given.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Kim, Dooseop; Kowalchick, Jennifer E.; Brockunier, Linda L.; Parmee, Emma R.; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Leiting, Barbara; Lyons, Kathryn; Scapin, Giovanna; Patel, Sangita B.; Petrov, Aleksandr; Pryor, KellyAnn D.; Roy, Ranabir Sinha; Wu, Joseph K.; Zhang, Xiaoping; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E. published an article about the compound: (S)-Propane-1,2-diamine dihydrochloride( cas:19777-66-3,SMILESS:C[C@H](N)CN.[H]Cl.[H]Cl ).Related Products of 19777-66-3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:19777-66-3) through the article.

A series of β-aminoamides bearing triazolopiperazines have been discovered as potent, selective, and orally active dipeptidyl peptidase IV (DPP-4) inhibitors by extensive structure-activity relationship (SAR) studies around the triazolopiperazine moiety. Among these, compound (I) with excellent in vitro potency (IC50 = 4.3 nM) against DPP-4, high selectivity over other enzymes, and good pharmacokinetic profiles exhibited pronounced in vivo efficacy in an oral glucose tolerance test (OGTT) in lean mice. On the basis of these properties, compound I has been profiled in detail. Further refinement of the triazolopiperazines resulted in the discovery of a series of extremely potent compounds with subnanomolar activity against DPP-4, i.e., 4-fluorobenzyl-substituted compound (II), which is notable for its superior potency (IC50 = 0.18 nM). X-ray crystal structure determination of compounds I and II in complex with DPP-4 enzyme revealed that (R)-stereochem. at the 8-position of triazolopiperazines is strongly preferred over (S) with respect to DPP-4 inhibition.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Recommanded Product: 8-Hydroxyquinoline 1-oxide. 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: 8-Hydroxyquinoline 1-oxide, is researched, Molecular C9H7NO2, CAS is 1127-45-3, about Theoretical investigation of the second and third order nonlinear optical properties of some fused heterocyclic aromatic compounds. Author is Bader, Mamoun M..

The authors report herein the results of coupled perturbed Hartree-Fock (CPHF) ab initio extended basis set calculations on the geometric structures, dipole moments, static 1st-order (α), 2nd-order (β), and 3rd-order polarizabilities (γ) of fused heterocyclic aromatic compounds based on quinoline. The effects of the presence/absence of the heteroatom as well as the introduction of other substituents at various positions in the ring system on these mol. properties are described. The effect of the presence of N-oxide is also examined Suggestions for the design of heterocyclic systems with enhanced polarizabilities are made.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Safety of 4-Bromo-5-phenyloxazole. 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: 4-Bromo-5-phenyloxazole, is researched, Molecular C9H6BrNO, CAS is 740806-67-1, about Oxazole Synthesis by Sequential Asmic-Ester Condensations and Sulfanyl-Lithium Exchange-Trapping. Author is Mueller, Louis G. Jr.; Chao, Allen; Alwedi, Embarek; Natrajan, Maanasa; Fleming, Fraser F..

Oxazoles were rapidly assembled through a sequential deprotonation-condensation of Asmic, anisylsulfanylmethyl isocyanide, with esters followed by sulfanyl-lithium exchange-trapping. Deprotonattion of Asmic afforded a metalated isocyanide that efficiently trapped esters to afford oxazoles bearing a versatile C-4 anisylsulfanyl substituent. Interchange of the anisylsulfanyl substituent was readily achieved through a first-in-class sulfur-lithium exchange-electrophilic trapping sequence whose versatility was illustrated in the three-step synthesis of the bioactive natural product streptochlorin.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

Lee, Yoon-Suk; Park, Sun Min; Kim, Hwan Mook; Park, Song-Kyu; Lee, Kiho; Lee, Chang Woo; Kim, Byeang Hyean published an article about the compound: 1-(Bromomethyl)-4-ethylbenzene( cas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1 ).Formula: C9H11Br. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:57825-30-6) through the article.

We describe (i) a simple method for the synthesis of C5-modified nucleosides, e.g. I, from 5-iodo-2′-deoxyuridine and (ii) their activity against six types of human cancer cell lines (HCT15, MM231, NCI-H23, NUGC-3, PC-3, ACHN). We generated nitrile oxides in situ from oximes using a com. bleaching agent; their cycloaddition with 5-ethynyl-2′-deoxyuridine yielded isoxazole derivatives possessing activity against the cancer cell lines. We synthesized several azides from benzylic bromides and their click reactions with 5-ethynyl-2′-deoxyuridine provided triazole derivatives

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Delineating Origins of Stereocontrol in Asymmetric Pd-Catalyzed α-Hydroxylation of 1,3-Ketoesters, published in 2010-05-07, which mentions a compound: 221012-82-4, Name is (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine, Molecular C38H34N2O4P2, Recommanded Product: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine.

Systematic studies of reaction conditions and subsequent optimization led to the identification of important parameters for stereoselectivity in the asym. α-hydroxylation reaction of 1,3-ketoesters. Enantioselectivities of up to 98% can be achieved for cyclic substrates and 88% for acyclic ketoesters. Subsequently, the combination of cyclic/acyclic ketoester, catalyst, and oxidant was found to have a profound effect on reaction rates and turnover-limiting steps. The stereochem. of the reaction contradicts that observed for other similar electrophilic substitution reactions. This was rationalized by transition-state modeling, which revealed a number of cooperative weak interactions between oxidant, ligand, and counterion, together with C-H/π interactions that cumulatively account for the unusual stereoselectivity.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis and antifungal activity of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-(N-butyl-N-substituted benzylamino)-2-propanol, published in 2009-09-20, which mentions a compound: 57825-30-6, mainly applied to triazole difluorophenyl butylbenzylamino propanol preparation antifungal agent, Application of 57825-30-6.

To study the antifungal activity of triazole alcs. by introducing N-Bu and substituted benzyl as side chain, fourteen title compounds were synthesized and characterized by 1H NMR, IR, and LC-MS. The MICs of the compounds were determined by in vitro test using 8 clin. pathogenic fungi. The title compounds exhibited potent antifungal activities against nearly all fungi tested (except for Aspergillus fumigatus), especially for the deep infection ones. Three compounds showed a 16-fold activity (with a MIC80 value of 0.015 6 μg/mL) as that of fluconazole against Microsporum gypseum. Two compounds showed a 128-fold activity (with a MIC80 value of 0.003 9 μg/mL) as that of fluconazole against Candida albicans, and their activities were higher than those of other pos. controls.

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Reference:
Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider