Day: April 2, 2022

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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Quinoxaline – Wikipedia,
Quinoxaline | C8H6N2 | ChemSpider

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Ternary fluorides. I. Structure, magnetism, and reflection spectra of alkali, ammonium, and thallium nickel(II) fluorides》. Authors are Ruedorff, Walter; Kaendler, Joachim; Babel, Dietrich.The article about the compound:Nickel(ii)fluoridetetrahydratecas:13940-83-5,SMILESS:[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ni+2].[F-].[F-]).Formula: F2H8NiO4. Through the article, more information about this compound (cas:13940-83-5) is conveyed.

By heating stoichiometric mixtures of the anhydrous component fluorides or H fluorides, the ternary compounds M2NiF4 (M = Li, Rb, NH4, or Tl) and MNiF3, (M = Na, Rb, or NH4) were prepared Li2NiF4 has an inverted spinel structure, space group O7h, a 8.313 A., Z = 8, d21 3.47. The other M2NiF4 compounds have a tetragonal, K2MgF4-type lattice, space group D174h, with a and c 4.006 and 13.076; 4.087 and 13.71; 4.084 and 13.79; and 4.051 and 14.22 A. for M = K, Rb, NH4, and Tl, resp. For the K, NH4, and Tl compounds d22 = 4.38, 2.39, and 7.85, resp. NaNiF3 has a rhombic, distorted, perovskite lattice, space group D162h, a 5.360, b 5.525, c 7.705 A., Z = 4, d. 4.04. RbNiF3 has a hexagonal, BaTiO3-type, perovskite lattice, space group D46h, a 5.843, c 14.31 A., d22 4.74. NH4NiF3 is pseudocubic, a 8.145 A., d21 3.26. KNiF3 is cubic, space group O1h, a 4.011 A. The lattice constant of the mixed crystals (KNiF3-KF) formed by mixing boiling NiCl2 and KCl solutions increases with KF content. The mixed crystals are a subtraction phase with vacancies in the Ni++ and F- partial lattices. From magnetic susceptibility data (77-473°K.) the compounds are divided into 3 groups: Li2NiF4, NiF2.4H2O, and (NH4)2NiF4.2H2O, which follow the Curie-Weiss law with low values of θ and which show the normal paramagnetism of Ni++ ion; antiferromagnetic compounds KNiF3, K2NiF4, Rb2NiF4, (NH4)2NiF4, and Tl2NiF4; and NaNiF3, NH4NiF3, and RbNiF3, which at low temperatures are weakly ferro- or ferrimagnetic. The different magnetic behaviors are discussed in relation to the structures, Ni-F-Ni angles, and Ni-F distances in the lattices. Reflection spectra of NiF2, KNiF3, K2NiF4, NaNiF3, Rb2NiF4, and Li2NiF4 are discussed and the absorption bands correlated with transitions among the energy levels of the Ni++ ion.

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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 Distinguishing N-oxide and hydroxyl compounds: Impact of heated capillary/heated ion transfer tube in inducing atmospheric pressure ionization source decompositions, published in 2004-06-30, which mentions a compound: 1127-45-3, mainly applied to distinguishing nitrogen oxide hydroxyl mass spectra; heated capillary transfer tube pressure ionization source decomposition, Reference of 8-Hydroxyquinoline 1-oxide.

In the pharmaceutical industry, a higher attrition rate during the drug discovery process means a lower drug failure rate in the later stages. This translates into shorter drug development time and reduced cost for bringing a drug to market. Over the past few years, anal. strategies based on liquid chromatog./mass spectrometry (LC/MS) have gone through revolutionary changes and presently accommodate most of the needs of the pharmaceutical industry. Among these LC/MS techniques, collision induced dissociation (CID) or tandem mass spectrometry (MS/MS and MSn) techniques were widely used to identify unknown compounds and characterize metabolites. MS/MS methods are generally ineffective for distinguishing isomeric compounds such as metabolites involving oxygenation of carbon or nitrogen atoms. Most recently, atm. pressure ionization (API) source decomposition methods aid in the mass spectral distinction of isomeric oxygenated (N-oxide vs. hydroxyl) products/metabolites. In previous studies, experiments were conducted using mass spectrometers equipped with a heated capillary interface between the mass analyzer and the ionization source. The authors studied the impact of the length of a heated capillary or heated ion transfer tube (a newer version of the heated capillary designed for accommodating orthogonal API source design) in inducing for-API source deoxygenation that allows the distinction of N-oxide from hydroxyl compounds 8-Hydroxyquinoline (HO-Q), quinoline-N-oxide (Q-NO) and 8-hydroxyquinoline-N-oxide (HO-Q-NO) were used as model compounds on three different mass spectrometers (LCQ Deca, LCQ Advantage and TSQ Quantum). Irresp. of heated capillary or ion transfer tube length, N-oxides from this class of compounds underwent predominantly deoxygenation decomposition under atm. pressure chem. ionization conditions and the abundance of the diagnostic [M + H – O]+ ions increased with increasing vaporizer temperature Also, the results suggest that in API source decomposition methods described in this paper can be conducted using mass spectrometers with nonheated capillary or ion transfer tube API interfaces. Because N-oxides can undergo in-source decomposition and interfere with quantitation experiments, particular attention should be paid when developing API based bioanal. methods.

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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 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, Name: (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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Synthetic Route of C7H5ClN4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 4-Chloro-6-(1H-imidazol-1-yl)pyrimidine, is researched, Molecular C7H5ClN4, CAS is 114834-02-5, about Selective mono-amination of dichlorodiazines. Author is Sengmany, Stephane; Lebre, Julie; Le Gall, Erwan; Leonel, Eric.

3,6-Dichloropyridazine, 4,6-dichloropyrimidine, 2,4-dichloropyrimidine, and 3,5-dichloropyridazine underwent chemoselective monosubstitution reactions with amines using triethylamine as a base in ethanol at either ambient temperature or reflux to give monoamino monochloro pyridazines and pyrimidines. The methodol. is general and efficient despite noticeable differences in reactivity between diazines; while dichloropyridazine and dichloropyrazine require several hours of heating at reflux for the reaction to proceed, dichloropyrimidines reach completion within minutes at room temperature

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Syntheses of 8-hydroxyquinoline N-oxide and its metallic complex salts》. Authors are Murase, Ichiro.The article about the compound:8-Hydroxyquinoline 1-oxidecas:1127-45-3,SMILESS:OC1=CC=CC2=CC=C[N+]([O-])=C12).Related Products of 1127-45-3. Through the article, more information about this compound (cas:1127-45-3) is conveyed.

8-Hydroxyquinoline N-oxide (IH) was obtained by the direct oxidation of 8-hydroxyquinoline with AcOH + 30% H2O2 or phthalic monoperacid as yellow crystals m. 138°. Greenish yellow CuI2.H2O, greenish black (MnI)2O.H2O and brownish black FeI3 were obtained. Fe(II), Ni, Co, and Zn do not form complexes.

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Category: quinoxaline. 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: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about From Mesocates to Helicates: Structural, Magnetic and Chiro-Optical Studies on Nickel(II) Supramolecular Assemblies Derived from Tetradentate Schiff Bases. Author is Mayans, Julia; Font-Bardia, Merce; Di Bari, Lorenzo; Arrico, Lorenzo; Zinna, Francesco; Pescitelli, Gennaro; Escuer, Albert.

The systematic reactions of a family of tetradentate pyridyl/imine and quinolyl/imine racemic or enantiopure Schiff bases with Ni(NO3)2 or Ni(ClO4)2 in the presence of sodium azide yielded, as a function of the starting racemic, chiral or achiral base, a set of chiral, meso or achiral complexes. In all cases, the compounds consist of two NiII cations linked by a double azido bridge in its end-on coordination mode. All the dimers exhibit a mesocate supramol. structure and one of them, the unprecedented mix of helicate and mesocate in 2:1 ratio. The transition from mesocate to helicate conformation was reached by tuning the flexibility of the central spacers of the Schiff bases and the size of the substituents. Electronic CD (ECD) studies were performed for two pairs of enantiomers and interpreted by DFT calculations Susceptibility measurements show a ferromagnetic coupling between the NiII cations mediated by the end-on azido bridges.

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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 Structures of pyridine and quinoline-N-oxide, published in 1970, which mentions a compound: 1127-45-3, Name is 8-Hydroxyquinoline 1-oxide, Molecular C9H7NO2, Synthetic Route of C9H7NO2.

8-Hydroxyquinoline 1-oxide (I) and 2-(hydroxymethyl)pyridine 1-oxide (II) exhibited lengthened N-O bond distances (1.333 and 1.332 Å) due to delocalization of the nonbonding electron on the O as a result of H bonding. The H bond between the hydroxyl H and the dative O is intramol. (1.42 Å long) in I and intermol. in II (1.99 Å long). The pyridine and quinoline moieties are planar. Crystals have monoclinic symmetry, space group P21/c, and Z = 4. Compound, lattice constants a, b, c, and cos. β are: I, 12.136, 4.921, 13.138 Å, -0.3376; II, 7.079, 8.046, 10.599 Å, -0.2254.

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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 19777-66-3. 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: (S)-Propane-1,2-diamine dihydrochloride, is researched, Molecular C3H12Cl2N2, CAS is 19777-66-3, about Optically active complexes of Schiff bases. I. Syntheses and properties of optically active tetradentate Schiff bases.

Reproducible syntheses and resolutions of 1,2-diamines were reported. Isomeric Schiff bases were prepared by condensation of 1 mole of (+),(-), or meso-1,2-diamine with 2 moles MeCOCH2COMe, salicylaldehyde or (+)-hydroxymethylenecamphor and identified by NMR and ir spectra. Configurational studies of the Schiff bases were made on the basis of ORD and CD spectra.

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