Tag: 200-300

Extension of Light-Harvesting Area of Bulk-Heterojunction Solar Cells by Cosensitization with Ring-Expanded Metallophthalocyanines Fused with Fluorene Skeletons was written by Yamamoto, Satoshi;Kimura, Mutsumi. And the article was included in ACS Applied Materials & Interfaces in 2013.Application of 858843-50-2 The following contents are mentioned in the article:

Three near-IR absorbing zinc fluorenocyanine complexes were designed and synthesized as a co-sensitizer for bulk-heterojunction solar cells. Fusing fluorene rings with the porphyrazine rings resulted in narrower band gap and stabilization of both the HOMO and LUMO energy levels compared with a zinc phthalocyanine complex. The synthesized fluorenocyanines were incorporated into bulk-heterojunction solar cells based on regioregular poly(3-hexylthiophene) and 1-(3-methoxycarbonyl)-propyl-1-phenyl-(6,6)C₆₁. The addition of zinc fluorenocyanine complex decorated with eight alkyl chains resulted in improved device performance with a 16% enhancement of the short-circuit current compared with that of the reference cell without this zinc fluorenocyanine complex. This study involved multiple reactions and reactants, such as 3,4-Dibromo-2-methylaniline (cas: 858843-50-2Application of 858843-50-2).

3,4-Dibromo-2-methylaniline (cas: 858843-50-2) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Application of 858843-50-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis, SAR, and Series Evolution of Novel Oxadiazole-Containing 5-Lipoxygenase Activating Protein Inhibitors: Discovery of 2-[4-(3-{(R)-1-[4-(2-Amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915) was written by Takahashi, Hidenori;Riether, Doris;Bartolozzi, Alessandra;Bosanac, Todd;Berger, Valentina;Binetti, Ralph;Broadwater, John;Chen, Zhidong;Crux, Rebecca;De Lombaert, Stephane;Dave, Rajvee;Dines, Jonathon A.;Fadra-Khan, Tazmeen;Flegg, Adam;Garrigou, Michael;Hao, Ming-Hong;Huber, John;Hutzler, J. Matthew;Kerr, Steven;Kotey, Adrian;Liu, Weimin;Lo, Ho Yin;Loke, Pui Leng;Mahaney, Paige E.;Morwick, Tina M.;Napier, Spencer;Olague, Alan;Pack, Edward;Padyana, Anil K.;Thomson, David S.;Tye, Heather;Wu, Lifen;Zindell, Renee M.;Abeywardane, Asitha;Simpson, Thomas. And the article was included in Journal of Medicinal Chemistry in 2015.Synthetic Route of C8H9BrN2O The following contents are mentioned in the article:

The synthesis, structure-activity relationship (SAR), and evolution of a novel series of oxadiazole-containing 5-lipoxygenase-activating protein (FLAP) inhibitors are described. The use of structure-guided drug design techniques provided compounds that demonstrated excellent FLAP binding potency (IC₅₀ < 10 nM) and potent inhibition of LTB₄ synthesis in human whole blood (IC₅₀ < 100 nM). Optimization of binding and functional potencies, as well as physicochem. properties resulted in the identification of compound 69 (I, BI 665915) that demonstrated an excellent cross-species drug metabolism and pharmacokinetics (DMPK) profile and was predicted to have low human clearance. In addition, 69 was predicted to have a low risk for potential drug-drug interactions due to its cytochrome P 450 3A4 profile. In a murine ex vivo whole blood study, 69 demonstrated a linear dose-exposure relationship and a dose-dependent inhibition of LTB₄ production This study involved multiple reactions and reactants, such as 2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5Synthetic Route of C8H9BrN2O).

2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Synthetic Route of C8H9BrN2O

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chiral Phosphoric Acid-Catalyzed Asymmetric Arylation of Indolizines: Atroposelective Access to Axially Chiral 3-Arylindolizines was written by Song, Xiaoxiao;Fan, Yanjun;Zhu, Zhiming;Ni, Qijian. And the article was included in Organic Letters in 2022.Electric Literature of C11H10BrNO2 The following contents are mentioned in the article:

A highly straightforward strategy for the synthesis of a new axially chiral 3-arylindolizine I (R = Me, Bn, n-Pr, etc.; R¹ = H, 5-Me, 6-Cl, 8-F, etc.; R² = 2-nitrophenyl, ethoxycarbonyl, (benzyloxy)carbonyl, etc.) and Et 3-[3,6-dihydroxy-2-(methoxycarbonyl)phenyl]indolizine-2-carboxylate scaffold via organocatalytic asym. arylation reactions of indolizinecarboxylates and p-quinone esters and Me 3,6-dioxocyclohexa-1,4-diene-1-carboxylate was reported. Using the chiral phosphoric acid catalyst, a series of axially chiral 3-arylindolizines I was accessed in good to excellent yields and atropo-enantioselectivities. This approach features a broad substrate scope, mild reaction conditions, good scalability, and facile derivatization. Moreover, preliminary investigations based on nonlinear effects and a thermal racemization study demonstrated the intrinsic pathway for the formation of axial chirality and its potential utility. This study involved multiple reactions and reactants, such as Ethyl 6-bromoindolizine-2-carboxylate (cas: 1251014-35-3Electric Literature of C11H10BrNO2).

Ethyl 6-bromoindolizine-2-carboxylate (cas: 1251014-35-3) belongs to organobromine compounds. Most of the natural organobromine compounds are produced by marine organisms, and several brominated metabolites with antibacterial, antitumor, antiviral, and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Electric Literature of C11H10BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Acetic acid aldose reductase inhibitors bearing a five-membered heterocyclic core with potent topical activity in a visual impairment rat model was written by La Motta, Concettina;Sartini, Stefania;Salerno, Silvia;Simorini, Francesca;Taliani, Sabrina;Marini, Anna Maria;Da Settimo, Federico;Marinelli, Luciana;Limongelli, Vittorio;Novellino, Ettore. And the article was included in Journal of Medicinal Chemistry in 2008.Reference of 422560-40-5 The following contents are mentioned in the article:

A number of 1,2,4-oxadiazol-5-ylacetic acids and oxazol-4-ylacetic acids were synthesized and tested for their ability to inhibit aldose reductase (ALR2). Several oxadiazole derivatives proved to be the most active compounds, exhibiting inhibitory levels in the submicromolar range. In this series, the Ph group turned out to be the preferred substitution pattern, as its lengthening to a benzyl moiety determined a general reduction of the inhibitory potency. The lead compound, 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetic acid, showed an excellent in vivo activity, proving to prevent cataract development in severely galactosemic rats when administered as an eye-drop solution in the precorneal region of the animals. Computational studies on the ALR2 inhibitors were performed to rationalize the structure-activity relationships observed and to provide the basis for further structure-guided design of novel ALR2 inhibitors. This study involved multiple reactions and reactants, such as 2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5Reference of 422560-40-5).

2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Reference of 422560-40-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Toward organic synthesis of a magnetic particle: dendritic polyradicals with 15 and 31 centers for unpaired electrons was written by Rajca, Andrzej;Utamapanya, Suchada. And the article was included in Journal of the American Chemical Society in 1993.SDS of cas: 151859-37-9 The following contents are mentioned in the article:

Starting from a bromo triether derivative (I), the authors prepared a homologous pentadecaether, which is a precursor for the title pentadecaradical, by repeating twice the following two-step procedure (total of four steps): (1) Br/Li exchange followed by the addition of the organolithium to a benzoic acid ester derivative and (2) conversion of the triarylmethyl alc. to Me ether. Similarly, a 31-ether precursor was prepared by repeating three times the above sequence (total of six steps). The polyethers were converted with Li metal in THF to the corresponding carbopolyanions and, subsequently, oxidized with iodine at 180 K to give the polyradicals. The polyradicals were studied in frozen THF and 2-methyltetrahydrofuran solutions by SQUID magnetometry in the 2-80 K temperature range and the 0-5.5 T magnetic field range; spin values, which are lower than expected for strong ferromagnetic coupling, were obtained. One of the possible explanations is the presence of defects, which disrupt ferromagnetic coupling between the triarylmethyl sites in these single-path π-conjugated systems; relationship of the current work to the percolation problem is discussed. This study involved multiple reactions and reactants, such as Methyl 3-bromo-2,4-dimethylbenzoate (cas: 151859-37-9SDS of cas: 151859-37-9).

Methyl 3-bromo-2,4-dimethylbenzoate (cas: 151859-37-9) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. SDS of cas: 151859-37-9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Nitrobenzofurazan derivatives of N’-hydroxyamidines as potent inhibitors of indoleamine-2,3-dioxygenase 1 was written by Paul, Saurav;Roy, Ashalata;Deka, Suman Jyoti;Panda, Subhankar;Trivedi, Vishal;Manna, Debasis. And the article was included in European Journal of Medicinal Chemistry in 2016.Synthetic Route of C8H9BrN2O The following contents are mentioned in the article:

Tryptophan metabolism through the kynurenine pathway is considered as a crucial mechanism in immune tolerance. Indoleamine 2,3-dioxygenase 1 (IDO1) plays a key role in tryptophan catabolism in the immune system and it is also considered as an important therapeutic target for the treatment of cancer and other diseases that are linked with kynurenine pathway. Nitrobenzofurazan derivatives of N’-hydroxybenzimidamides and N’-hydroxy-2-phenylacetimidamides were synthesized and their inhibitory activities against human IDO1 enzyme were tested using in-vitro and cellular enzyme activity assay. The optimization leads to the identification of three potent compounds (IC₅₀ = 39-80 nM), which are either competitive or uncompetitive inhibitors of IDO1 enzyme. These compounds also showed IDO1 inhibition potencies in the nanomolar range (IC₅₀ = 50-71 nM) in MDA-MB-231 cells with no/negligible amount of cytotoxicity. The stronger selectivity of the potent compounds for IDO1 enzyme over tryptophan 2,3-dioxygenase (TDO) enzyme (312-1593-fold) also makes them very attractive for further immunotherapeutic applications. This study involved multiple reactions and reactants, such as 2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5Synthetic Route of C8H9BrN2O).

2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Synthetic Route of C8H9BrN2O

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New Deoxycholic Acid Derived Tyrosyl-DNA Phosphodiesterase 1 Inhibitors Also Inhibit Tyrosyl-DNA Phosphodiesterase 2 was written by Salomatina, Oksana V.;Dyrkheeva, Nadezhda S.;Popadyuk, Irina I.;Zakharenko, Alexandra L.;Ilina, Ekaterina S.;Komarova, Nina I.;Reynisson, Johannes;Salakhutdinov, Nariman F.;Lavrik, Olga I.;Volcho, Konstantin P.. And the article was included in Molecules in 2022.Product Details of 422560-40-5 The following contents are mentioned in the article:

A series of deoxycholic acid (DCA) amides containing benzyl ether groups on the steroid core were tested against the tyrosyl-DNA phosphodiesterase 1 (TDP1) and 2 (TDP2) enzymes. In addition, 1,2,4- and 1,3,4-oxadiazole derivatives were synthesized to study the linker influence between a para-bromophenyl moiety and the steroid scaffold. The DCA derivatives demonstrated promising inhibitory activity against TDP1 with IC₅₀ in the submicromolar range. Furthermore, the amides and the 1,3,4-oxadiazole derivatives inhibited the TDP2 enzyme but at substantially higher concentration Tryptamide I and para-bromoanilide II derivatives containing benzyloxy substituent at the C-3 position and non-substituted hydroxy group at C-12 on the DCA scaffold inhibited both TDP1 and TDP2 as well as enhanced the cytotoxicity of topotecan in non-toxic concentration in vitro. According to mol. modeling, ligand I was anchored into the catalytic pocket of TDP1 by one hydrogen bond to the backbone of Gly458 as well as by π-π stacking between the indolyl rings of the ligand and Tyr590, resulting in excellent activity. Therefore it could be concluded that these derivatives contributed to the development of specific TDP1 and TDP2 inhibitors for adjuvant therapy against cancer in combination with topoisomerase poisons. This study involved multiple reactions and reactants, such as 2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5Product Details of 422560-40-5).

2-(4-Bromophenyl)-N-hydroxyacetimidamide (cas: 422560-40-5) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Product Details of 422560-40-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Non-target screening analysis of river water as compound-related base for monitoring measures was written by Schwarzbauer, Jan;Ricking, Mathias. And the article was included in Environmental Science and Pollution Research in 2010.Reference of 1261675-06-2 The following contents are mentioned in the article:

Building up a comprehensive accurate monitoring program requires the knowledge on the contamination in principal, complemented by detailed information on individual contaminants. The selection of pollutants to be considered in monitoring actions is based dominantly on the information available about their environmental relevance (e.g., persistence, bioaccumulation potential, toxicol. and ecotoxicol. properties) and their occurrence within the affected environmental system. Therefore, this study focused on the identification of organic contaminants in selected German and European rivers to demonstrate the usefulness of a screening approach as complementary base for the compound selection process within monitoring activities. Gas chromatog.-mass spectrometry-based screening analyses were performed on five and six samples from German and European rivers, resp. Identification of individual contaminants was based on the investigation of mass spectral and gas chromatog. properties compared with databases and reference materials. This study summarized the results of non-target screening analyses applied to river water samples and focused dominantly on, so far, unnoticed organic contaminants. Numerous compounds have been identified belonging to the groups of pharmaceuticals, tech. additives, pesticides, personal care products, and oxygen-, nitrogen-, and sulfur-containing compounds of obviously anthropogenic origin. They are discussed in terms of their structural properties, their possible application or usage, and the environmental information available so far. Generally, two different groups of compounds have been differentiated that might contribute to potential monitoring programs. Firstly, more specific contaminants characterizing the individual riverine systems have been depicted (e.g., 4-chloro-2-(trifluoromethyl)aniline, di-iso-propylurea). The consideration of these substances in monitoring analyses to be applied to the corresponding catchment areas is recommended in order to monitor the real state of pollution. Secondly, contaminants have been introduced that appeared with higher multiplicity throughout the different river systems (e.g., TMDD, TXIB). Since these compounds tend to obviously have an elevated environmental stability accompanied by a widespread distribution, it is recommended to consider them in international high-scale monitoring programs. For monitoring purposes, a fundamental knowledge on the diversity of pollutants is an important precondition, which can be supported by screening analyses. Obviously, numerous organic contaminants have been neglected so far in environmental studies on river water, comprising also investigation on potential harmful effects and, therefore, their implementation in monitoring activities has been hindered. Therefore, based on the results of this study, screening analyses should be established as principle tools to improve and complement the substance spectra for monitoring purposes. Secondly, scientific efforts should be strengthened to expand our knowledge on actually appearing organic contaminants in riverine systems. This study involved multiple reactions and reactants, such as 3-(4-Bromo-2-methoxyphenyl)propanoic acid (cas: 1261675-06-2Reference of 1261675-06-2).

3-(4-Bromo-2-methoxyphenyl)propanoic acid (cas: 1261675-06-2) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Reference of 1261675-06-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Improvement in the Selectivity and Metabolic Stability of the Serotonin 5-HT_1A Ligand, S 15535: A Series of cis- and trans-2-(Arylcycloalkylamine) 1-Indanols was written by Peglion, Jean-Louis;Goument, Bertrand;Despaux, Nicole;Charlot, Valerie;Giraud, Helene;Nisole, Christian;Newman-Tancredi, Adrian;Dekeyne, Anne;Bertrand, Marc;Genissel, Patrick;Millan, Mark J.. And the article was included in Journal of Medicinal Chemistry in 2002.SDS of cas: 746638-33-5 The following contents are mentioned in the article:

S 15535 (1) displays a distinctive profile of agonist and antagonist (weak partial agonist) activity at pre- and postsynaptic 5-HT_1A receptors, resp. It has proven to be active in several models predictive of anxiolytic, antidepressant, and procognitive properties. In an attempt to increase its selectivity and metabolic stability, and guided by the results of human metabolic studies, we prepared a series of cis- and trans-2-(arylcycloalkylamine) 1-indanols. Irresp. of the nature of the arylcycloalkylamine moiety or the presence of substituents on the indanol ring, trans isomers invariably showed the highest affinity for human, recombinant h5-HT_1A receptors. Among them, compounds 39, 42, 45, 49, 52, 53, 54, 57, 61, 64, 67, and 70 displayed similar or higher affinity than the parent compound 1 (pK_i ≥ 9.1). Lack of selectivity toward α₁-adrenoceptors has been frequently encountered with 5-HT_1A ligands. While S 15535 itself presents reasonable selectivity (158-fold) in this respect, trans piperazine derivatives 4-trans, 35, 39, 41, 47, 64, 68, 69, 70, 71 displayed even more pronounced selectivity vs α₁-adrenoceptors, with the nitro derivative 70 being highly selective (1259-fold). However, among the set of trans piperidines prepared, only 64, which also bears a nitro on the indanol ring, displayed selectivity greater than the parent compound 1. All trans derivatives behaved as partial agonists at h5-HT_1A receptors, as determined by their submaximal stimulation of [³⁵S]GTPγS binding to a level comparable to that observed with S 15535. In metabolic stability studies in vitro using human microsomes and hepatocytes, only trans piperazines and, in particular, 35, 39, 41, 68, 69, and 70, showed an improvement relative to 1, whereas trans piperidines did not. Compounds 35, 39, 41, and 70, which combined both improved selectivity and metabolic stability, and which retained the distinctive pharmacol. characteristics of S 15535, were evaluated in animal models of anxiety. Of these, 35, which showed the highest oral bioavailability in vivo in rats, was resolved into its two isomers 36 and 37. The eutomer 37 displayed 47% oral bioavailability in the rat and was potently active (0.1-0.5 mg/kg, s.c.) in the rat ultrasonic vocalization and social interaction models, predictive of anxiolytic activity. In conclusion, 2-(arylcycloalkylamine) 1-indanols represent a novel class of potent 5-HT_1A ligands in which the presence of the hydroxyl group in the benzylic position enhances selectivity, while substituents on the Ph ring of the indanol moiety improve both selectivity and metabolic stability. This study involved multiple reactions and reactants, such as 8-Bromo-6-fluorochroman (cas: 746638-33-5SDS of cas: 746638-33-5).

8-Bromo-6-fluorochroman (cas: 746638-33-5) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.SDS of cas: 746638-33-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yan, Si-Shun; Liu, Shi-Han; Chen, Lin; Bo, Zhi-Yu; Jing, Ke; Gao, Tian-Yu; Yu, Bo; Lan, Yu; Luo, Shu-Ping; Yu, Da-Gang published an article in 2021. The article was titled 《Visible-light photoredox-catalyzed selective carboxylation of C(sp3)-F bonds with CO2》, and you may find the article in Chem.Category: bromides-buliding-blocks The information in the text is summarized as follows:

A novel selective carboxylation of C(sp3)-F bonds with CO2 via visible-light photoredox catalysis. A variety of mono-, di-, and trifluoroalkylarenes as well as α,α-difluorocarboxylic esters and amides undergo such reactions to give important aryl acetic acids and α-fluorocarboxylic acids, including several drugs and analogs, under mild conditions. Notably, mechanistic studies and DFT calculations demonstrate the dual role of CO2 as an electron carrier and electrophile during this transformation. The fluorinated substrates would undergo single-electron reduction by electron-rich CO2 radical anions, which were generated in situ from CO2 via sequential hydride-transfer reduction and hydrogen-atom-transfer processes. The experimental process involved the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Category: bromides-buliding-blocks)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary