Category: 57825-30-6

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 57825-30-6, is researched, SMILESS is CCC1=CC=C(CBr)C=C1, Molecular C9H11BrJournal, Green Chemistry called Photocatalyst- and transition-metal-free α-allylation of N-aryl tetrahydroisoquinolines mediated by visible light, Author is Li, Zhuohua; Ma, Pengju; Tan, Yongzhu; Liu, Yufei; Gao, Min; Zhang, Yujun; Yang, Bo; Huang, Xuan; Gao, Yuan; Zhang, Junmin, the main research direction is alkyl aryl tetrahydroisoquinoline preparation; aryl tetrahydroisoquinoline preparation alkyl bromide allylation photocatalyst.Safety of 1-(Bromomethyl)-4-ethylbenzene.

A convenient and efficient α-allylation of N-aryl tetrahydroisoquinolines I (R = H, 4-Br, 3-Me, 4-Et, etc.) has been achieved. This transformation can be realized under only visible light irradiation without the aid of transition metals or photocatalysts. The mechanism involves a novel in situ-generated electron-donor-acceptor (EDA) complex between the N-aryl tetrahydroisoquinolines I and an allyl or a benzyl bromide R1Br (R1 = 2-methylprop-2-en-1-yl, prop-2-en-1-yl, benzyl, 1-phenylethyl, etc.). Irradiation with purple light triggered single-electron transfer (SET) from the N-aryl tetrahydroisoquinolines I to the allyl or benzyl bromide of the EDA complex, induces the formation of the corresponding allyl or benzyl radical and the subsequent radical-radical coupling. This approach represents the first example of a photocatalyst- and transition-metal-free α-allylic and benzylic functionalization of N-aryl tetrahydroisoquinolines I.

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Computed Properties of C9H11Br. 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: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Copper(I)-Catalyzed Asymmetric Alkylation of Unsymmetrical Secondary Phosphines. Author is Zhang, Shuai; Xiao, Jun-Zhao; Li, Yan-Bo; Shi, Chang-Yun; Yin, Liang.

A Cu(I)-catalyzed asym. alkylation of HPAr1Ar2 with alkyl halides is uncovered, which provides an array of P-stereogenic phosphines in generally high yield and enantioselectivity. The electrophilic alkyl halides enjoy a broad substrate scope, including allyl bromides, propargyl bromide, benzyl bromides, and alkyl iodides. Also, 11 unsym. diarylphosphines (HPAr1Ar2) serve as competent pronucleophiles. The present methodol. is also successfully applied to catalytic asym. double and triple alkylation, and the corresponding products were obtained in moderate diastereo- and excellent enantioselectivities. Some 31P NMR experiments indicate that bulky HPPhMes exhibits weak competitively coordinating ability to the Cu(I)-bisphosphine complex, and thus the presence of stoichiometric HPAr1Ar2 does not affect the enantioselectivity significantly. Therefore, the high enantioselectivity in this reaction is attributed to the high performance of the unique Cu(I)-(R,RP)-TANIAPHOS complex in asym. induction. Finally, one monophosphine and two bisphosphines prepared by the present reaction are employed as efficient chiral ligands to afford three structurally diversified Cu(I) complexes, which demonstrates the synthetic utility of the present methodol.

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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 Discovery of Ipragliflozin (ASP1941): A novel C-glucoside with benzothiophene structure as a potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes mellitus, published in 2012-05-15, which mentions a compound: 57825-30-6, mainly applied to Ipragliflozin ASP1941 aryl glucoside benzothiophene preparation antidiabeteic SGLT2 mellitus, Electric Literature of C9H11Br.

A series of C-glucosides with various heteroaromatics has been synthesized and its inhibitory activity toward SGLTs was evaluated. Upon screening several compounds, the benzothiophene derivative I (R =H) was found to have potent inhibitory activity against SGLT2 and good selectivity vs. SGLT1. Through further optimization of 14a, a novel benzothiophene derivative I (R = F) (ipragliflozin, ASP1941) was discovered as a highly potent and selective SGLT2 inhibitor that reduced blood glucose levels in a dose-dependent manner in diabetic models KK-Ay mice and STZ rats.

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Recommanded Product: 1-(Bromomethyl)-4-ethylbenzene. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Discovery of Ipragliflozin (ASP1941): A novel C-glucoside with benzothiophene structure as a potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes mellitus. Author is Imamura, Masakazu; Nakanishi, Keita; Suzuki, Takayuki; Ikegai, Kazuhiro; Shiraki, Ryota; Ogiyama, Takashi; Murakami, Takeshi; Kurosaki, Eiji; Noda, Atsushi; Kobayashi, Yoshinori; Yokota, Masayuki; Koide, Tomokazu; Kosakai, Kazuhiro; Ohkura, Yasufumi; Takeuchi, Makoto; Tomiyama, Hiroshi; Ohta, Mitsuaki.

A series of C-glucosides with various heteroaromatics has been synthesized and its inhibitory activity toward SGLTs was evaluated. Upon screening several compounds, the benzothiophene derivative I (R =H) was found to have potent inhibitory activity against SGLT2 and good selectivity vs. SGLT1. Through further optimization of 14a, a novel benzothiophene derivative I (R = F) (ipragliflozin, ASP1941) was discovered as a highly potent and selective SGLT2 inhibitor that reduced blood glucose levels in a dose-dependent manner in diabetic models KK-Ay mice and STZ rats.

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Safety of 1-(Bromomethyl)-4-ethylbenzene. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Discovery of Ipragliflozin (ASP1941): A novel C-glucoside with benzothiophene structure as a potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes mellitus. Author is Imamura, Masakazu; Nakanishi, Keita; Suzuki, Takayuki; Ikegai, Kazuhiro; Shiraki, Ryota; Ogiyama, Takashi; Murakami, Takeshi; Kurosaki, Eiji; Noda, Atsushi; Kobayashi, Yoshinori; Yokota, Masayuki; Koide, Tomokazu; Kosakai, Kazuhiro; Ohkura, Yasufumi; Takeuchi, Makoto; Tomiyama, Hiroshi; Ohta, Mitsuaki.

A series of C-glucosides with various heteroaromatics has been synthesized and its inhibitory activity toward SGLTs was evaluated. Upon screening several compounds, the benzothiophene derivative I (R =H) was found to have potent inhibitory activity against SGLT2 and good selectivity vs. SGLT1. Through further optimization of 14a, a novel benzothiophene derivative I (R = F) (ipragliflozin, ASP1941) was discovered as a highly potent and selective SGLT2 inhibitor that reduced blood glucose levels in a dose-dependent manner in diabetic models KK-Ay mice and STZ rats.

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Product Details of 57825-30-6. 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: 1-(Bromomethyl)-4-ethylbenzene, is researched, Molecular C9H11Br, CAS is 57825-30-6, about Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A3 Receptor Antagonists. Author is Xia, Lizi; Burger, Wessel A. C.; van Veldhoven, Jacobus P. D.; Kuiper, Boaz J.; van Duijl, Tirsa T.; Lenselink, Eelke B.; Paasman, Ellen; Heitman, Laura H.; IJzerman, Adriaan P..

We expanded on a series of pyrido[2,1-f]purine-2,4-dione derivatives as human adenosine A3 receptor (hA3R) antagonists to determine their kinetic profiles and affinities. Many compounds showed high affinities and a diverse range of kinetic profiles. We found hA3R antagonists with very short residence time (RT) at the receptor (2.2 min for II 5) and much longer RTs (e.g., 376 min for I or 391 min for 31). Two representative antagonists (I) and (II) were tested in [35S]GTPγS binding assays, and their RTs appeared correlated to their (in)surmountable antagonism. From a kon-koff-KD kinetic map, we divided the antagonists into three subgroups, providing a possible direction for the further development of hA3R antagonists. Addnl., we performed a computational modeling study that sheds light on the crucial receptor interactions, dictating the compounds’ binding kinetics. Knowledge of target binding kinetics appears useful for developing and triaging new hA3R antagonists in the early phase of drug discovery.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Mechanism of aromatic side-chain reactions with special reference to the polar effects of substituents. IV. The mechanism of quaternary salt formation》. Authors are Baker, John W.; Nathan, Wilfred S..The article about the compound:1-(Bromomethyl)-4-ethylbenzenecas:57825-30-6,SMILESS:CCC1=CC=C(CBr)C=C1).Category: quinoxaline. Through the article, more information about this compound (cas:57825-30-6) is conveyed.

cf. C. A. 29, 4657.5. The following data are given for the reaction of RC6H4CH2Br with C5H5N in dry Me2CO at the temperatures given, where R is: p-Me, 20°, 2.020 (kp × 104, g.-mol./l./sec.); 40°, 7.983; p-Et, 20°, 1.811; 30°, 3.517; 40°, 6.733; p-iso-Pr, 20°, 1.633; 40°, 6.500; p-tert-Bu, 20°, 1.652; 30°, 3.357; 40°, 6.467; 2,4-Me2, 20°, 6.287; 30°, 12.48; 40°, 24.05; 2,4-(NO2)2, 20°, 2.288; 30°, 4.700; 40°, 8.960. The results show that the small retarding effect of a p-NO2 group is replaced by an accelerating effect when a 2nd NO2 group is introduced into the 2-position. In a series of substituents arranged in order of decreasing +I or increasing -I effects, a min. velocity is found with the p-NO2 compound: 2,4-Me2 > (p-tert-Bu < p-iso-Pr < p-Et < p-Me) > H > p-NO2 ≪ 2,4-(NO2)2. The position of the 2,4-(NO2)2 group illustrates a new phenomenon, viz., the occurrence of a min. velocity in a graded polar series without change in reaction kinetics. The interaction of the 2,4-dinitrobenzyl bromide with C5H5N is strictly bimol., the velocity coefficient in Me2CO at 40° being independent of the concentration The accelerating effect of the 2,4-(NO2)2 groups observed in dry Me2CO is almost absent in aqueous 90% Me2CO and becomes a retarding effect in aqueous 90% EtOH. The results thus far show (1) the reaction between benzyl halides and tert-bases in non-aqueous media is strictly bimol. and involves a simultaneous addition and dissociation; the Arrhenius energy of activation E is, within exptl. error, unaffected by substituents and is closely related to the energy changes involved in the electron cycle as a whole; the velocity of the reaction, as affected by substituent groups in the aryl bromide, is determined mainly by some factor which is incorporated in the term P of the equation kp = PZe-E/RT; electron accession toward the side chain (+I effect) increases the reaction velocity; up to a point (at p-NO2), decrease of electron availability in the side chain decreases the velocity, but greater electron recession (in 2,4-(NO2)2) from the side chain to the nucleus reverses this effect and greatly increases the velocity. 2,4-Dinitrobenzylpyridinium bromide, m. 196° (decomposition). p-Ethylbenzyl bromide, b0.8 84°, m. 14.5-5.2°, from the chloride and NaBr in 90% aqueous Me2CO; iso-Pr homolog, b0.4 75°; tert-Bu homolog, b0.3 99°, m. 15.1°; 2,4-dimethylbenzyl bromide, b1.2 79°, m. 15°.

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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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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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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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