Month: March 2022

Category: bromides-buliding-blocks. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: (S)-3,3′-Dibromo-1,1′-bi-2-naphthol, is researched, Molecular C20H12Br2O2, CAS is 119707-74-3, about A Continuously Regenerable Chiral Ammonia Borane for Asymmetric Transfer Hydrogenations. Author is Zhou, Qiwen; Meng, Wei; Yang, Jing; Du, Haifeng.

A novel chiral ammonia borane was designed and developed through the dehydrogenation of ammonia borane with a chiral phosphoric acid, which was highly effective for the asym. transfer hydrogenation of imines and β-enamino esters to afford high levels of reactivities and enantioselectivities. Significantly, this chiral ammonia borane can be continuously regenerated during the transfer hydrogenation with the assistance of water and ammonia borane, which made it possible to obtain satisfactory results using only 0.1 mol % of the chiral phosphoric acid. Notably, the role of chiral phosphoric acid is to produce the chiral ammonia borane.

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Ardkhean, Ruchuta; Roth, Philippe M. C.; Maksymowicz, Rebecca M.; Curran, Alex; Peng, Qian; Paton, Robert S.; Fletcher, Stephen P. published an article about the compound: (S)-3,3′-Dibromo-1,1′-bi-2-naphthol( cas:119707-74-3,SMILESS:OC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3O ).Formula: C20H12Br2O2. 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:119707-74-3) through the article.

The stereochem. role of the phosphoramidite ligand in the asym. conjugate addition of alkylzirconium species to cyclic enones has been established through exptl. and computational studies. Systematic, synthetic variation of the modular ligand established that the configuration of the binaphthol backbone is responsible for absolute stereocontrol, whereas modulation of the amido substituents leads to dramatic variations in the level of asym. induction. Chiral amido substituents are not required for enantioselectivity, leading to the discovery of a new family of easily synthesized phosphoramidites based on achiral amines that deliver equal levels of selectivity to Feringa’s ligand. A linear correlation between the length of the aromatic amido groups and exptl. determined enantioselectivity was uncovered for this class of ligand, which, following an optimization, led to highly selective ligands (up to 94% ee) with naphthyl rather than Ph groups. An electronic effect of sterically similar aromatic substituents was investigated through NMR and DFT studies, showing that electron-rich aryl groups allow better Cu coordination. An interaction between the metal center and an aromatic group is responsible for this enhanced affinity and leads to a more tightly coordinated transition structure, leading to the major enantiomer. These studies illustrate the use of parametric quant. structure-selectivity relationships to generate mechanistic models for asym. induction and catalyst structures that may be further probed by experiment and computation. This integrated approach leads to the rational modification of chiral ligands to achieve enhanced levels of selectivity.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about New antiprotozoal agents: Synthesis and biological evaluation of different 4-(7-chloroquinolin-4-yl) piperazin-1-yl)pyrrolidin-2-yl)methanone derivatives.Formula: C13H14ClN3.

In an endeavor to develop efficacious antiprotozoal agents 4-(7-chloroquinolin-4-yl)(piperazin-1-yl)(pyrrolidin-2-yl)methanone derivatives were synthesized, characterized, and biol. evaluated for antiprotozoal activity. The compounds were screened in vitro against the HM1: IMSS strain of Entamoeba histolytica and NF54 chloroquine-sensitive strain of Plasmodium falciparum. Among the synthesized compounds, six exhibited promising antiamoebic activity with IC50 values (0.14-1.26 μM) lower than the standard drug metronidazole (IC50 1.80 μM). All nine compounds exhibited antimalarial activity (IC50 range: 1.42-19.62 μM), while maintaining a favorable safety profile to host red blood cells. All the compounds were less effective as an antimalarial and more toxic (IC50 range: 14.67-81.24 μM) than quinine (IC50: 275.6 ± 16.46 μM) against the human kidney epithelial cells. None of the compounds exhibited any inhibitory effect on the viability of Anopheles arabiensis mosquito larvae.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Evaluation of a series of bicyclic CXCR2 antagonists》. Authors are Walters, Iain; Austin, Caroline; Austin, Rupert; Bonnert, Roger; Cage, Peter; Christie, Mark; Ebden, Mark; Gardiner, Stuart; Grahames, Caroline; Hill, Steven; Hunt, Fraser; Jewell, Robert; Lewis, Shirley; Martin, Iain; Nicholls, David; Robinson, David.The article about the compound:Ethyl 3-Ethoxy-2-Propenoatecas:1001-26-9,SMILESS:O=C(OCC)/C=C/OCC).Formula: C7H12O3. Through the article, more information about this compound (cas:1001-26-9) is conveyed.

The CXCR2 SAR of a series of bicyclic antagonists such as the 2-aminothiazolo[4,5-d]pyrimidine 3b was investigated by systematic variation of the fused pyrimidine-based heterocyclic cores. Replacement of the aminothiazole ring with a 2-thiazolone alternative led to a series of thiazolo[4,5-d]pyrimidine-2(3H)-one antagonists with markedly improved biol. and pharmacokinetic properties, which are suitable pharmacol. tools to probe the in vivo effects of CXCR2 antagonism combined with the associated CCR2 activity.

If you want to learn more about this compound(Ethyl 3-Ethoxy-2-Propenoate)Formula: C7H12O3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1001-26-9).

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline, is researched, Molecular C13H14ClN3, CAS is 837-52-5, about Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.Synthetic Route of C13H14ClN3.

With the emergence of extensively drug-resistant tuberculosis, there is a need for new anti-tubercular drugs that work through novel mechanisms of action. The meta cleavage product hydrolase, HsaD, has been demonstrated to be critical for the survival of Mycobacterium tuberculosis in macrophages and is encoded in an operon involved in cholesterol catabolism, which is identical in M. tuberculosis and M. bovis BCG. We generated a mutant strain of M. bovis BCG with a deletion of hsaD and tested its growth on cholesterol. Using a fragment based approach, >1000 compounds were screened by a combination of differential scanning fluorometry, NMR spectroscopy, and enzymic assay with pure recombinant HsaD to identify potential inhibitors. We used enzymol. and structural studies to investigate derivatives of the inhibitors identified and to test their effects on growth of M. bovis BCG and M. tuberculosis. The hsaD-deleted strain was unable to grow on cholesterol as sole carbon source but did grow on glucose. Of seven chem. distinct hits from the library, 2 chem. classes of fragments were found to bind in the vicinity of the active site of HsaD by X-ray crystallog. The compounds also inhibited growth of M. tuberculosis on cholesterol. The most potent inhibitor of HsaD was also found to be the best inhibitor of mycobacterial growth on cholesterol-supplemented minimal medium. We propose that HsaD is a novel therapeutic target, which should be fully exploited to design and discover new anti-tubercular drugs.

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Bromide – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline(SMILESS: C1=C(Cl)C=C2C(=C1)C(=CC=N2)N3CCNCC3,cas:837-52-5) is researched.Recommanded Product: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine. The article 《Synthesis of totarol amino alcohol derivatives and their antiplasmodial activity and cytotoxicity》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:837-52-5).

The previously unknown antiplasmodial activity of the plant derived natural product totarol is reported. Novel β-amino alc. derivatives based on this natural product were designed, synthesized and evaluated for in vitro antiplasmodial activity and cytotoxicity. These derivatives showed antiplasmodial IC50 values in the range of 0.6-3.0 μM and were equally active against a chloroquine-sensitive and resistant strain of Plasmodium falciparum, while showing little cytotoxicity against a mammalian cell line (CHO). In terms of lead development, two of the compounds based on substituted phenylpiperazine warrant further investigation as potential antiplasmodial leads. In addition to their selective antiplasmodial activity and lack of chloroquine cross-resistance, these compounds are structurally different to any of the available antimalarial drugs.

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Bromide – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5 ) is researched.Synthetic Route of C13H14ClN3.Umar, Tarana; Shalini, Shruti; Raza, Kausar Md; Gusain, Siddharth; Kumar, Jitendra; Seth, Prerna; Tiwari, Manisha; Hoda, Nasimul published the article 《A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer’s disease》 about this compound( cas:837-52-5 ) in European Journal of Medicinal Chemistry. Keywords: piperazinyl pyrazolopyridinyl acetamide preparation docking cholinesterase inhibitor amyloid aggregation; AChE inhibitors; Amyloid β aggregation inhibitors; Docking; N-(1H-pyrazolo[3,4-b]pyridin-3-yl)acetamides; Selectivity. Let’s learn more about this compound (cas:837-52-5).

2-(Piperazin-1-yl)-N-(1H-pyrazolo[3,4-b]pyridin-3-yl)acetamides I [R = piperidin-1-yl, 4-methylpiperazin-1-yl, Et 4-((4-yl)piperazin-1-yl)quinoline-3-carboxylate, etc.] were described as a new class of selective and potent acetylcholinesterase (AChE) inhibitors and amyloid β aggregation inhibitors. Formation of synthesized compounds I was justified via 1H NMR, 13C NMR, mass spectra and single crystal X-Ray diffraction study. All compounds were evaluated for their acetylcholinesterase and butyrylcholinesterase inhibitory activity, inhibition of self-mediated Aβ aggregation and Cu(II)-mediated Aβ aggregation. Also, docking study was carried out in concordance with in vitro results. The most potent mol. amongst the derivatives exhibited excellent anti-AChE activity (IC50 = 4.8 nM). Kinetic study of I [R = 2-((4-yl)piperazin-1-yl)-N-(1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide] suggested it to be a mixed type inhibitor. In vitro study revealed that all the compounds were capable of inhibiting self-induced β-amyloid (Aβ) aggregation with the highest inhibition percentage to be 81.65%. Potency of I [R = Et 4-((4-yl)piperazin-1-yl)quinoline-3-carboxylate, 2-((4-yl)piperazin-1-yl)-N-(1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide] to inhibit self-induced Aβ1-42 aggregation was ascertained by TEM anal. Compounds were also evaluated for their Aβ disaggregation, antioxidation, metal-chelation activity.

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Wang, Haiying; Han, Hongjing; Sun, Enhao; Zhang, Yanan; Li, Jinxin; Chen, Yanguang; Song, Hua; Zhao, Hongzhi; Kang, Yue published an article about the compound: Ethyl 3-Ethoxy-2-Propenoate( cas:1001-26-9,SMILESS:O=C(OCC)/C=C/OCC ).Computed Properties of C7H12O3. 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:1001-26-9) through the article.

To realize the resource and high-value utilization, a new approach, named bagasse lignin (BL) used to produce aryl oxygen-containing compounds by catalytic pyrolysis over perovskite, was proposed. LaTi0.2Fe0.8O3 (LTF) samples prepared by the sol-gel method (SG) and the solid-state reaction method (SS) were characterized. The catalytic action on BL pyrolysis was performed by the test of TG-DTG and the evaluation of the fixed bed micro-reactor, the components and contents of the products were determined The results show that LTF samples have cubic perovskite phase, LTF prepared by SG (LTF-SG) is porous with larger sp. surface area than LTF prepared by SS (LTF-SS). During the pyrolysis of BL, the addition of LTF lowers the pyrolysis temperature and the activation energy, the contents of CO2 and CO in gaseous products reduce by 4.6%-8.0% and 30.7%-34.3%, resp., the total content of aryl oxygen-containing compounds (including phenolics, guaiacols, syringols and phenylates) in liquid products increases from 62 wt% to more than 72 wt%, and LTF-SG shows better catalytic performance. LTF samples have nice phase and catalytic stabilities for BL pyrolysis after five successive redox cycles.

If you want to learn more about this compound(Ethyl 3-Ethoxy-2-Propenoate)Computed Properties of C7H12O3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1001-26-9).

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Product Details of 2645-22-9. 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: 4,4-Dipyridyl Disulfide, is researched, Molecular C10H8N2S2, CAS is 2645-22-9, about Electrochemical consideration of electrostatic interaction of charged molecules with partially overlapped electric field: zwitterions and proteins. Author is Sugimoto, Yu; Fujieda, Nobutaka; Kano, Kenji.

Electrostatic interactions greatly affect the interaction and activity of ions and charged mols. In this study, electrochem. techniques were applied to evaluate the electrostatic interactions of zwitterions and proteins as charged mols. that have partially overlapped elec. field. The formal potential of a probe redox couple, [Fe(CN)6]3-/4-, was used as a measure of the electrostatic interaction between the probe ions and linear amino acids as zwitterions. The zwitterions clearly showed electrostatic interaction with [Fe(CN)6]3-/4-, but the strength was weakened by the partial overlapping of the elec. field of oppositely charged sites. Furthermore, we investigated the electrostatic interaction between proteins as multivalent polymeric ions using quinohemoprotein amine dehydrogenase and its electron accepter proteins (amicyanin, cytochrome c550, and horse heart cytochrome c). The second-order reaction rate constant (k) of the intermol. electron transfer between the proteins was electrochem. determined in various ionic strengths (I). The I dependences of k were explained not by the net charges but by the local charges around the interaction interfaces of the proteins.

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Xu, Deyu; Chen, Xiong; Yin, Xiangsheng; Ning, Xiaomin published an article about the compound: 7-Chloro-4-(piperazin-1-yl)quinoline( cas:837-52-5,SMILESS:C1=C(Cl)C=C2C(=C1)C(=CC=N2)N3CCNCC3 ).Recommanded Product: 7-Chloro-4-(piperazin-1-yl)quinoline. 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:837-52-5) through the article.

Tripiperaquine derivatives [I; Z, Z1 = (CH2)n where n = 2, 3, 4; CH2CHMe, CH2CHRCH2 where R = Cl, HO, PrCO2] were prepared and showed antimalarial activity at 3 mg/kg. Thus, 0.7 mol glycidyl chloride was added to a solution of 0.3 mol piperazine in EtOH at 40-50° and refluxed to give 87.0% II, which (0.01 mol) was refluxed with 0.021 mol III and 2.5 g Et3N in EtOH to give 79% I [Z = Z1 = CH2CH(OH)CH2].

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Bromide – Wikipedia,
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