Day: April 1, 2022

Application of 19777-66-3. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about Resolution of propandiamine and synthesis of dexrazoxane. Author is Wang, Yuling; Song, Hongrui; Song, Aihua.

The resolution of propandiamine and synthesis of dexrazoxane were studied. Using 1,2-propandiamine as primary material, the synthetic method of dexrazoxane by resolution, alkylation and cyclization was established. The L-tartaric acid was used as a resolving reagent, 1,2-propandiamine was resolved and the (+)-enantiomer was obtained. The method of changing 1,2-propandiamine bitartrate into hydrochloride was improved. The method was simpler and might be of application.

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Quinoxaline – Wikipedia,
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(Bromomethyl)-4-ethylbenzene(SMILESS: CCC1=CC=C(CBr)C=C1,cas:57825-30-6) is researched.Application In Synthesis of 5,5′-Dimethyl-2,2′-bipyridine. The article 《Substituent effects on benzylic radical hydrogen hyperfine coupling constants. Part 4. The effect of branching of the alkyl substituent》 in relation to this compound, is published in Canadian Journal of Chemistry. Let’s take a look at the latest research on this compound (cas:57825-30-6).

The substituent effects on the title hfc constants of m- (I) or p-R1C6H4R2• (II; R = H, Me) are discussed and the ESR of II (R = H, Me; R1 = Me, Et, Me2CH, Me3C) are analyzed. ESR and INDO calculations show that hyperconjugation involving the C-C bond is 40-60% as effective as C-H hyperconjugation for delocalizing spin d. 13C NMR of p-R1C6H4C+Me2 shows that C-C hyperconjugation is 75-90% as effective as C-H hyperconjugation for delocalizing charge d. The inductive effect on the hfc were deted. by the LFER with σm for I; the inductive withdrawal of electron d. leads to a decrease in spin delocalization.

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Lam, Kim-Hung; Chui, Chung-Hin; Gambari, Roberto; Wong, Raymond Siu-Ming; Cheng, Gregory Yin-Ming; Lau, Fung-Yi; Lai, Paul Bo-San; Tong, See-Wai; Chan, Kit-Wah; Wong, Wai-Yeung; Chan, Albert Sun-Chi; Tang, Johnny Cheuk-On published the article 《The preparation of bi-functional organophosphine oxides as potential antitumor agents》. Keywords: BINAP P Phos organophosphine oxide preparation potential antitumor agent.They researched the compound: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine( cas:221012-82-4 ).Product Details of 221012-82-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:221012-82-4) here.

Following previously reported pyridinyl phosphine oxides as antitumor agents, the com. available C2-axial chiral organophosphine ligand catalysts, such as 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (BINAP) 1 and 2,2′,6,6′-tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine (P-Phos) 2 as a convenient source for producing organophosphine oxides were targeted as antitumor leads. Their corresponding chiral and racemic bi-phosphine oxides 3 and 4 can be obtained easily through a simple oxidation step with hydrogen peroxide, and their antitumor activities towards human hepatocellular carcinoma Hep3B cell line were reported. It was found that compound 3 shows stronger antitumor activity than that of 4, where axial chirality cannot improve their activity. Further athymic nude mice Hep3B xenograft model demonstrates the attractive in vivo antitumor potential of 3.

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Quinoxaline – Wikipedia,
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Name: 1-(Bromomethyl)-4-ethylbenzene. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Structurally Simple Inhibitors of Lanosterol 14α-Demethylase Are Efficacious In a Rodent Model of Acute Chagas Disease. Author is Suryadevara, Praveen Kumar; Olepu, Srinivas; Lockman, Jeffrey W.; Ohkanda, Junko; Karimi, Mandana; Verlinde, Christophe L. M. J.; Kraus, James M.; Schoepe, Jan; Van Voorhis, Wesley C.; Hamilton, Andrew D.; Buckner, Frederick S.; Gelb, Michael H..

We report structure-activity studies of a large number of dialkyl imidazoles as inhibitors of Trypanosoma cruzi lanosterol-14α-demethylase (L14DM). The compounds have a simple structure compared to posaconazole, another L14DM inhibitor that is an anti-Chagas drug candidate. Several compounds display potency for killing T. cruzi amastigotes in vitro with values of EC50 in the 0.4-10 nM range. Two compounds were selected for efficacy studies in a mouse model of acute Chagas disease. At oral doses of 20-50 mg/kg given after establishment of parasite infection, the compounds reduced parasitemia in the blood to undetectable levels, and anal. of remaining parasites by PCR revealed a lack of parasites in the majority of animals. These dialkyl imidazoles are substantially less expensive to produce than posaconazole and are appropriate for further development toward an anti-Chagas disease clin. candidate.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Oxine N-oxide as an analytical reagent for the colorimetric estimation of Ce(IV) and its comparison with 8-quinolinol as a chelating agent》. Authors are Bhat, A. N.; Jain, B. D..The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Safety of 8-Hydroxyquinoline 1-oxide. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

Aqueous solutions of Ce(IV) salts form stable brownish red H2O-soluble complexes when combined with alc. oxine N-oxide. The absorption is measured at 420 mμ, and Beer’s law is obeyed to 9.0 p.p.m. Ce. Th, U, and F- interfere and must be removed.

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HPLC of Formula: 57825-30-6. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Direct conversion of alkyl halides into benzimidazoles using pyridine-N-oxide and 1,2-diaminobenzenes. Author is Bratulescu, George.

Benzimidazole heterocycles I [R1 = C6H5, 4-CH3CH2C6H4, 4-FC6H4, 1H-pyrrol-2-yl, etc.; R2 = H, 5-OCH3, 5-CH3] were obtained from halogenated compounds R1CH2Br and aromatic 1,2-diamines such as o-phenylenediamine, 4-methyl-1,2-benzenediamine, 4-methoxy-1,2-benzenediamine. A mild oxidizing reagent such as pyridine N-oxide is required to produce the benzimidazole core I. The method is solvent-free and provides products without the need for chromatog. Good yields, moderate reaction temperature, and fast reaction rates are important advantages of this procedure.

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Quinoxaline – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Molecular Basis for the Stereoselective Ammonolysis of N-Alkyl Aziridine-2-Carboxylates Catalyzed by Candida antarctica Lipase B》. Authors are Park, Jae-Hoon; Ha, Hyun-Joon; Lee, Won Koo; Genereux-Vincent, Tobie; Kazlauskas, Romas J..The article about the compound:(S)-Propane-1,2-diamine dihydrochloridecas:19777-66-3,SMILESS:C[C@H](N)CN.[H]Cl.[H]Cl).Reference of (S)-Propane-1,2-diamine dihydrochloride. Through the article, more information about this compound (cas:19777-66-3) is conveyed.

Candida antarctica lipase B was used to catalyzed a stereoselective ammonolysis of N-(alkyl)aziridine-2-carboxylates in tert-butanol with ammonia and yielded (2S)-2-aziridinecarboxamide and remaining (2R)-2-aziridinecarboxylic acid ester. Varying the N-1 substituent on the aziridine ring changed the rate and stereoselectivity of the reaction. Substrates with a benzyl substituent or a (1R)-1-phenylethyl substituent reacted approx. ten times faster than substrates with a (1S)-1-phenylethyl substituent. Substrates with a benzyl substituent showed little stereoselectivity (E = 5-7) while substrates with either a (1R)-1-phenylethyl or (1S)-1-phenylethyl substituent showed high stereoselectivity (D > 50). Mol. modeling by using the current paradigm for enantioselectivity-binding of the slow enantiomer by an exchange-of-substituents orientation-could not account for the exptl. results. However, modeling an umbrella-like-inversion orientation for the slow enantiomer could account for the exptl. results. Steric hindrance between a Me group in the (1S)-1-phenylethyl substituent and Thr138 and Ile189 in the acyl-binding site likely accounts for the slow reaction. Enantioselectivity likely stems from an unfavorable interaction of the methine hydrogen with Thr40 for the slow enantiomer and from subtle differences in the orientations of the other three substituents. This success in rationalizing the enantioselectivity supports the notion that an umbrella-like-inversion orientation can contribute to enantioselectivity in lipases.

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Quinoxaline – Wikipedia,
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Wang, Lailai; Kwok, Waihim; Wu, Jing; Guo, Rongwei; Au-Yeung, Terry T.-L.; Zhou, Zhongyuan; Chan, Albert S. C.; Chan, Kin-Shing published the article 《Enantioselective bis-alkoxycarbonylation of styrene catalyzed by novel chiral dipyridylphosphine cationic palladium(II) complexes》. Keywords: enantioselective bisalkoxycarbonylation styrene chiral dipyridylphosphine cationic palladium complex catalyst; asym alkoxycarbonylation styrene chiral dipyridylphosphine cationic palladium complex catalyst.They researched the compound: (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine( cas:221012-82-4 ).Related Products of 221012-82-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:221012-82-4) here.

The preparation of new palladium complexes that are composed of a series of chiral dipyridylphosphines have been described. The structure of the complex [{(R)-1}Pd(H2O)2](OTf)2 was unambiguously determined by single-crystal X-ray diffractometry. These complexes were found to be effective in the asym. bis-methoxycarbonylation of styrene, reaching up to 84% e.e. and 79% chemoselectivity for dimethyl-2-phenylsuccinate (DMPS) under the optimal conditions. In addition, the complexes exhibited almost identical enantioselectivity on DMPS.

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Quinoxaline – Wikipedia,
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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 Highly Enantioselective Hydrogenation of Quinoline and Pyridine Derivatives with Iridium-(P-Phos) Catalyst, published in 2010-04-30, which mentions a compound: 221012-82-4, Name is (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine, Molecular C38H34N2O4P2, Application In Synthesis of (R)-2,2′,6,6′-Tetramethoxy-4,4′-bis(diphenylphosphino)-3,3′-bipyridine.

The use of a chiral iridium catalyst generated in situ from the (cyclooctadiene)iridium chloride dimer, [Ir(COD)Cl]2, the P-Phos ligand [4,4′-bis(diphenylphosphino)-2,2′,6,6′-tetramethoxy-3,3′-bipyridine] and iodine for the asym. hydrogenation of 2,6-substituted quinolines and 2-substituted 7,8-dihydroquinolin-5(6H)-ones is reported. The catalyst worked efficiently to hydrogenate a series of quinoline derivatives to provide chiral 1,2,3,4-tetrahydroquinolines in high yields and up to 96% ee. The hydrogenation was carried out at high S/C (substrate to catalyst) ratios of 2000-50000, reaching up to 4000 h-1 TOF (turnover frequency) and up to 43000 TON (turnover number). The catalytic activity is found to be additive-controlled. At low catalyst loadings, decreasing the amount of additive I2 was necessary to maintain the good conversion. The same catalyst system could also enantioselectively hydrogenate 2-substituted 7,8-dihydroquinolin-5(6H)-ones, affording the chiral hexahydroquinolinone derivatives in nearly quant. yields and up to 99% ee. Interestingly, increasing the amount of I2 favored high reactivity and enantioselectivity in this case. The high efficacy and enantioselectivity enable the present catalyst system of high practical potential.

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Quinoxaline – Wikipedia,
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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Bioorganic & Medicinal Chemistry Letters called Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1), Author is Deng, Yongqi; Yang, Zhiwei; Shipps, Gerald W.; Lo, Sie-Mun; West, Robert; Hwa, Joyce; Zheng, Shuqin; Farley, Constance; Lachowicz, Jean; van Heek, Margaret; Bass, Alan S.; Sinha, Dinesh P.; Mahon, Craig R.; Cartwright, Mark E., which mentions a compound: 57825-30-6, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11Br, Related Products of 57825-30-6.

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,
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