Month: November 2022

Mederski, WWKR published the artcileNovel 4,5-dihydro-4-oxo-3H-imidazo[4,5-c]pyridines. Potent angiotensin II receptor antagonists with high affinity for both the AT₁ and AT₂ subtypes, Product Details of C7H5Br2F, the publication is European Journal of Medicinal Chemistry (1997), 32(6), 479-491, database is CAplus.

The synthesis and pharmacol. activity of balanced high affinity non-peptide angiotensin II antagonists of the AT₁ and AT₂ subtype receptors have been presented. A series of previously prepared AT₁ selective 4,5-dihydro-4-oxo-3H-imidazo[4,5-c]-pyridines were modified at four different positions in order to increase the AT₂ binding affinity by maintaining the nanomolar activity for the AT₁ receptor. The targeted AT₂/AT₁ IC₅₀ binding ratio of ∼ 1 was achieved with a number of compounds possessing a small alkyl chain at C-2, different acetamide groups at N-5 and a 3-fluoro and 2′-carboxamidosulfonyl substituent at the biphenylmethyl moiety. These modifications led to an analog which exhibited an AT₂/AT₁ ratio of 0.74, a subnanomolar AT₁ antagonistic potency (0.18 nM) and a high metabolic stability in rat and monkey liver microsomes in vitro. After oral administration of 3 mg/kg to cynomolgus monkeys, EMD 90423 (potassium salt of the active analog) demonstrated good efficacy and a long duration of action as an antihypertensive agent.

European Journal of Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Product Details of C7H5Br2F.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Khudozhitkov, Alexander E. published the artcileHigh-Temperature Quantum Tunneling and Hydrogen Bonding Rearrangements Characterize the Solid-Solid Phase Transitions in a Phosphonium-Based Protic Ionic Liquid, Name: 1-Bromooctane, the publication is Chemistry – A European Journal (2022), 28(23), e202200257, database is CAplus and MEDLINE.

Authors report the complex phase behavior of the glass forming protic ionic liquid (PIL) d3-octylphosphonium bis(trifluoromethylsulfonyl)imide [C₈H₁₇PD₃][NTf₂] by solid-state NMR spectroscopy. Combined line shape and spin relaxation studies of the deuterons in the PD₃ group of the octylphosphonium cation allow to map and correlate the phase behavior for a broad temperature range from 71 K to 343 K. In the solid PIL at 71 K, we observed a static state, characterized by the first deuteron quadrupole coupling constant reported for PD₃ deuterons. A transition enthalpy of about 12 kJ mol^-1 from the static to the mobile state with increasing temperature suggests the breaking of a weak, charge-enhanced hydrogen bond between cation and anion. The highly mobile phase above 100 K exhibits an almost disappearing activation barrier, strongly indicating quantum tunneling. Thus, they provide first evidence of tunneling driven mobility of the hydrogen bonded P-D moieties in the glassy state of PILs, already at surprisingly high temperatures up to 200 K. Above 250 K, the mobile phase turns from anisotropic to isotropic motion, and indicates strong internal rotation of the PD₃ group. The analyzed line shapes and spin relaxation times allow us to link the structural and dynamical behavior at mol. level with the phase behavior beyond the DSC traces.

Chemistry – A European Journal published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, Name: 1-Bromooctane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zou, Hong Bin published the artcileDesign, synthesis, and SAR analysis of cytotoxic sinapyl alcohol derivatives, Synthetic Route of 76283-09-5, the publication is Bioorganic & Medicinal Chemistry (2006), 14(6), 2060-2071, database is CAplus and MEDLINE.

Five series totalling 51 of sinapyl alc. derivatives were designed and synthesized. Their cytotoxicity analyses were performed on six human tumor cell lines such as PC-3, CNE, KB, A549, BEL-7404, and HeLa. Certain sinapyl alc. derivatives showed significant cytotoxic activities. Compound I exhibited especially potent cytotoxicity against the BEL-7404 cell line with an IC₅₀ value of 0.7 μM, which showed more cytotoxic activity than the pos. control, cisplatin. The structure-cytotoxicity relationships were discussed and the CoMFA anal. was performed using the cytotoxic data against HeLa cells as a template.

Bioorganic & Medicinal Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C15H21BO2, Synthetic Route of 76283-09-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Yu, Yingjian published the artcileA p-π* conjugated triarylborane as an alcohol-processable n-type semiconductor for organic optoelectronic devices, Recommanded Product: 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is Journal of Materials Chemistry C: Materials for Optical and Electronic Devices (2019), 7(24), 7427-7432, database is CAplus.

A p-π* conjugated organic mol. based on triarylborane is reported as n-type organic semiconductor with unique alc. solubility Its favorable alc. solubility even in the absence of polar side chains is mainly due to the large dipole moment and enhanced flexibility of the conjugated backbone once the boron atom is embedded. The p-π* conjugation directly affects the electronic structure as the LUMO is fully delocalized, including the boron atom, whereas the HOMO has the boron atom residing on a node. As a result, the mol. exhibits low-lying LUMO/HOMO energy levels of -3.61 eV/-5.73 eV paired with a good electron mobility of 1.37 × 10^-5 cm² V^-1 s^-1. Its application as an electron acceptor is demonstrated in alc.-processed organic solar cells (OSCs). This p-π* conjugated mol. is the first alc.-processable non-fullerene electron acceptor, a feature that is in strong demand for environmentally friendly processing of OSCs.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C13H16O2, Recommanded Product: 2-Bromo-3-(2-ethylhexyl)thiophene.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Servis, Kenneth L. published the artcileNMR isotope shifts as a probe of electronic structure, HPLC of Formula: 594-81-0, the publication is Journal of the American Chemical Society (1985), 107(24), 7186-7, database is CAplus.

The β-D isotope effects on the C-13 chem. shifts of 2,3-dimethyl-2-butene, 2,3-dimethyl-2-butene bromonium ion, and 2,3-dimethyl-2-butene mercurinium ion suggests that these cationic derivatives have different electronic structures. The β-D isotope effect in the bromonium ion is pos. (downfield shift) while that in the mercurinium ion is neg. (upfield shift). A comparison with β-D isotope shifts in other cations suggests that the β effects can be related to the electronic structure of these ions.

Journal of the American Chemical Society published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H3ClFNO2, HPLC of Formula: 594-81-0.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Kancharla, Papireddy published the artcileLead Optimization of Second-Generation Acridones as Broad-Spectrum Antimalarials, Recommanded Product: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, the publication is Journal of Medicinal Chemistry (2020), 63(11), 6179-6202, database is CAplus and MEDLINE.

The global impact of malaria remains staggering despite extensive efforts to eradicate the disease. With increasing drug resistance and the absence of a clin. available vaccine, there is an urgent need for novel, affordable, and safe drugs for prevention and treatment of malaria. Previously, we described a novel antimalarial acridone chemotype that is potent against both blood-stage and liver-stage malaria parasites. Here, we describe an optimization process that has produced a second-generation acridone series with significant improvements in efficacy, metabolic stability, pharmacokinetics, and safety profiles. These findings highlight the therapeutic potential of dual-stage targeting acridones as novel drug candidates for further preclin. development.

Journal of Medicinal Chemistry published new progress about 21101-63-3. 21101-63-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,sulfides,Benzyl bromide,Benzene, name is (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane, and the molecular formula is C8H6BrF3S, Recommanded Product: (4-(Bromomethyl)phenyl)(trifluoromethyl)sulfane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Orthgiess, Erhard published the artcileColorimetric determination of anionic surfactants, Application of Dimidium bromide, the publication is Tenside, Surfactants, Detergents (1990), 27(4), 226-8, database is CAplus.

A method for the determination of anionic surfactants such as alkyl- and alkylarylsulfates, -sulfonates, and -sulfosuccinates in aqueous solutions is based on the absorbance measurement of surfactant-dye (i.e., 3,8-diamino-5-methyl-6-phenylphenanthridinium bromide) complexes at 525 nm. The technique is simpler and faster than other colorimetric methods and can be used for the anal. of 1 × 10^-4 to 5 × 10^-7 M solutions

Tenside, Surfactants, Detergents published new progress about 518-67-2. 518-67-2 belongs to bromides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Benzene, name is Dimidium bromide, and the molecular formula is C20H18BrN3, Application of Dimidium bromide.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Cheng, Haojin published the artcileIron(II) complexes containing thiophene-substituted “bispicen” ligands – Spin-crossover, ligand rearrangements, and ferromagnetic interactions, Quality Control of 52431-30-8, the publication is Canadian Journal of Chemistry (2010), 88(9), 954-963, database is CAplus.

The synthesis and characterization of three new tetradentate bispicen-type ligands containing a substituted thiophene heterocycle [I, R = H (7), Ph (8), or 2-thienyl (9)] are described. Iron(II) bis(thiocyanate) coordination complexes containing 7 – 9 were prepared, and the electronic and variable-temperature magnetic properties of complexes containing 7 (10) and 9 (12) are described. Complex 10 features a gradual and incomplete spin crossover in the solid state, and 12 remains high-spin over the entire temperature range. Complex 11 containing 8 is extremely unstable and rearranges to another iron(II) complex (13), which was structurally characterized. The temperature-dependent magnetic properties of 13 are described as a 1-dimensional ferromagnetic chain, with interchain antiferromagnetic interactions and (or) zero-field splitting dominant at low temperatures The magnetic anal. is corroborated by the mol. packing and d. functional theory calculations, which suggest intermol. interactions between coordinated thiocyanate ligands bearing a significant spin d.

Canadian Journal of Chemistry published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, Quality Control of 52431-30-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Regueiro-Figueroa, Martin published the artcileMolecular Recognition of Sialic Acid by Lanthanide(III) Complexes through Cooperative Two-Site Binding, SDS of cas: 166821-88-1, the publication is Inorganic Chemistry (2010), 49(9), 4212-4223, database is CAplus and MEDLINE.

Herein the authors report two new ligands, 1,4,7-tris(carboxymethyl)-10-[2-(dihydroxyboranyl)benzyl]-1,4,7,10-tetraazacyclododecane (L¹) and 1,4,7-tris(carboxymethyl)-10-[3-(dihydroxyboranyl)benzyl]-1,4,7,10-tetraazacyclododecane (L²), which contain a phenylboronic acid (PBA) function and a 1,4,7,10-tetraazacyclododecane-1,4,7-triacetate cage for complexation of lanthanide ions in an aqueous solution The pK_a of the PBA function amounts to 4.6 in [Gd(L¹)] and 8.9 in [Gd(L²)], with the value of the L² analog being very similar to that of PBA (8.8). These results are explained by the coordination of the PBA function of L¹ to the Gd^III ion, which results in a dramatic lowering of its pK_a. As a consequence, [Gd(L¹)] does not bind to saccharides at physiol. pH. The nuclear magnetic relaxation dispersion profiles recorded for [Gd(L¹)] and [Gd(L²)] confirm that the phenylboronate function is coordinated to the metal ion in the L¹ derivative, which results in a q = 0 complex. The interaction of the [Gd(L²)] complex with 5-acetylneuraminic acid (Neu5Ac) and 2-α-O-methyl-5-acetylneuraminic acid (MeNeu5Ac) was studied by spectrophotometric titrations in an aqueous solution (pH 7.4, 0.1M 3-(N-morpholino)propanesulfonic acid buffer). Also, the authors have also studied the binding of these receptors with competing monosaccharides such as D-(+)-glucose, D-fructose, D-mannose, D-galactose, Me α-D-galactoside, and Me α-D-mannoside. The binding constants obtained indicate an important selectivity of [Gd(L²)] for Neu5Ac (K_eq = 151) over D-(+)-glucose (K_eq = 12.3), D-mannose (K_eq = 21.9), and D-galactose (K_eq = 24.5). Also, a very weak binding affinity was observed in the case of Me α-D-galactoside and Me α-D-mannoside. An 8-fold increase of the binding constant of [Gd(L²)] with Neu5Ac is observed when compared to that of PBA determined under the same conditions (K_eq = 19). ¹³C NMR spectroscopy and d. functional theory calculations performed at the B3LYP/6-31G(d) level show that this is due to a cooperative two-site binding of Neu5Ac through (1) ester formation by interaction on the PBA function of the receptor and (2) coordination of the carboxylate group of Neu5Ac to the Gd^III ion. The emission lifetime of the ⁵D₄ level of Tb^III in [Tb(L²)] increases upon Neu5Ac binding, in line with the displacement of inner-sphere water mols. due to coordination of Neu5Ac to the metal ion.

Inorganic Chemistry published new progress about 166821-88-1. 166821-88-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Boronic acid and ester,Benzyl bromide,Benzene,Boronic Acids,Boronic acid and ester, name is 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, and the molecular formula is C12H16BBrO2, SDS of cas: 166821-88-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Yuan, Jia-cheng published the artcileSynthesis of 2-bromo-4-methoxyaniline in ionic liquid, Application In Synthesis of 111865-47-5, the publication is Huaxue Shijie (2011), 52(12), 747-750, database is CAplus.

A method for synthesis of 2-bromo-4-methoxyaniline in ionic liquid was introduced. The title compound was prepared from p-methoxyaniline through bromination. The 2-bromo-4-methoxyaniline was obtained in 98.2% yield and 99.5% purity. The effect of various brominating agents and their amounts, reaction temperature and reaction time on the bromination reaction was investigated. The new procedure for preparing 2-bromo-4-methoxyaniline has the advantages of easy source of material, good yield, simple operation and environmental benignity. Ionic liquid can be reused.

Huaxue Shijie published new progress about 111865-47-5. 111865-47-5 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is Mono(N,N,N-trimethyl-1-phenylmethanaminium) tribromide, and the molecular formula is C12H20O6, Application In Synthesis of 111865-47-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary