M.W=250-300 Archives - Page 23 of 46 - Bromides-buliding-blocks

Regueiro-Figueroa, Martin’s team published research in Inorganic Chemistry in 49 | CAS: 166821-88-1

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.

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.

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

Page, Brent D. G.’s team published research in Journal of Medicinal Chemistry in 56 | CAS: 21101-63-3

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, Quality Control of 21101-63-3.

Page, Brent D. G. published the artcileInhibiting Aberrant Signal Transducer and Activator of Transcription Protein Activation with Tetrapodal, Small Molecule Src Homology 2 Domain Binders: Promising Agents against Multiple Myeloma, Quality Control of 21101-63-3, the publication is Journal of Medicinal Chemistry (2013), 56(18), 7190-7200, database is CAplus and MEDLINE.

[(Arylsulfonyl)glycinyl](cyclohexylbenzyl)aminosalicylic acids such as I (R = 4-MeC₆H₄, F₅C₆; R¹ = 2-F₃CC₆H₄) were prepared as inhibitors of the signal transducer and activator of transcription (STAT) protein Stat3 for potential use as treatments for multiple myeloma. The hydrophobicities of I and their inhibition of Stat3 were determined; mol. docking of selected compounds to the SH2 domain of Stat3 and inhibition of Stat3 phosphorylation under various conditions were determined for selected compounds, and the activity of I (R = 4-MeC₆H₄; R¹ = 2-F₃CC₆H₄) against human multiple myeloma cells and human hematopoietic cells and its induction of apoptosis in multiple myeloma cells was determined

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

Lim, Chang Su’s team published research in Chemical Communications (Cambridge, United Kingdom) in 48 | CAS: 166821-88-1

Chemical Communications (Cambridge, United Kingdom) 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, COA of Formula: C12H16BBrO2.

Lim, Chang Su published the artcileA two-photon turn-on probe for glucose uptake, COA of Formula: C12H16BBrO2, the publication is Chemical Communications (Cambridge, United Kingdom) (2012), 48(15), 2122-2124, database is CAplus and MEDLINE.

The authors report a two-photon turn-on probe (AS1) that can be excited by 780 nm femto-second pulses and visualize glucose uptake and the changes in the intracellular glucose concentration in live cells and tissue by two-photon microscopy.

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

Lee, Sujin’s team published research in Journal of Medicinal Chemistry in 62 | CAS: 1997-80-4

Journal of Medicinal Chemistry published new progress about 1997-80-4. 1997-80-4 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Bromide,Benzene, name is 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene, and the molecular formula is C9H8BrF3, Quality Control of 1997-80-4.

Lee, Sujin published the artcile4,8-Dimethylcoumarin Inhibitors of Intestinal Anion Exchanger slc26a3 (Downregulated in Adenoma) for Anti-Absorptive Therapy of Constipation, Quality Control of 1997-80-4, the publication is Journal of Medicinal Chemistry (2019), 62(17), 8330-8337, database is CAplus and MEDLINE.

The chloride/bicarbonate exchanger SLC26A3 (down-regulated in adenoma, DRA) is expressed mainly in colonic epithelium where it dehydrates the stool by facilitating the final step of chloride and fluid absorption. SLC26A3 inhibition has predicted efficacy in various types of constipation including that associated with cystic fibrosis. We previously identified, by high-throughput screening, 4,8-dimethylcoumarin inhibitors of murine slc26a3 with IC50 down to ∼150 nM. Here, we synthesized a focused library of forty-three 4,8-dimethylcoumarin analogs. Structure-activity studies revealed the requirement of 4,8-dimethylcoumarin-3-acetic acid for activity. The most potent inhibitors were produced by replacements at C7, including 3-iodo- (4az(I)) and 3-trifluoromethyl- (4be(II)), with IC50 of 40 nM and 25 nM, resp. Pharmacokinetics in mice showed predicted therapeutic concentrations of I for >72 h following a single 10 mg/kg oral dose. I at 10 mg/kg fully normalized stool water content in a loperamide-induced mouse model of constipation. The favorable inhibition potency, selectivity within the SLC26 family and pharmacol. properties of I support its further preclin. development.

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

Sartini, Stefania’s team published research in Journal of Medicinal Chemistry in 55 | CAS: 76283-09-5

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, Synthetic Route of 76283-09-5.

Sartini, Stefania published the artcileBenzofuroxane Derivatives as Multi-Effective Agents for the Treatment of Cardiovascular Diabetic Complications. Synthesis, Functional Evaluation, and Molecular Modeling Studies, Synthetic Route of 76283-09-5, the publication is Journal of Medicinal Chemistry (2012), 55(23), 10523-10531, database is CAplus and MEDLINE.

Diabetes mellitus is the major risk factor for cardiovascular disorders. Aldose reductase, the rate-limiting enzyme of the polyol pathway, plays a key role in the pathogenesis of diabetic complications. Accordingly, inhibition of this enzyme is emerging as a major therapeutic strategy for the treatment of hyperglycemia-induced cardiovascular pathologies. In this study, the authors describe a series of 5(6)-substituted benzofuroxane derivatives, synthesized as aldose reductase inhibitors. Besides inhibiting efficiently the target enzyme, these benzofuroxane derivatives showed addnl. NO donor and antioxidant properties, thus emerging as novel multi-effective compounds The benzyloxy derivative (I), the most promising of the whole series, showed a well-balanced, multifunctional profile consisting of submicromolar ALR2 inhibitory efficacy (IC₅₀ = 0.99±0.02 μM), significant and spontaneous NO generation properties, and excellent hydroxyl radical scavenging activity. Computational studies of the novel compounds clarified the aldose reductase inhibitory profile observed, thus rationalizing structure-activity relationships of the whole series.

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

Bricaud, Quentin’s team published research in Synthetic Metals in 159 | CAS: 303734-52-3

Synthetic Metals 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 C12H19BrS, HPLC of Formula: 303734-52-3.

Bricaud, Quentin published the artcileTerthiophene-cyanovinylene π-conjugated polymers as donor material for organic solar cells, HPLC of Formula: 303734-52-3, the publication is Synthetic Metals (2009), 159(23-24), 2534-2538, database is CAplus.

Conjugated polymers of hybrid structure containing cyanovinylene linkages have been synthesized by Knoevenagel condensation of diformyl terthienyls with para-dicyanomethylbenzene. UV-vis and cyclic voltammetric data show that these polymers combine reduced band gap, improved light-harvesting properties and low lying HOMO level. Whereas the very low solubility of the polymers did not allow the fabrication of bulk heterojunction solar cells, bilayer heterojunction solar cells have been realized using thermally evaporated films of fullerene C₆₀ as acceptor material. The best devices show a maximum external quantum efficiency of ∼20% and a power conversion efficiency of 0.40% under simulated AM 1.5 solar illumination.

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

Lee, Yi-Huan’s team published research in Nanoscale in 6 | CAS: 303734-52-3

Nanoscale 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 C12H19BrS, Formula: C12H19BrS.

Lee, Yi-Huan published the artcileCo-crystallization phase transformations in all π-conjugated block copolymers with different main-chain moieties, Formula: C12H19BrS, the publication is Nanoscale (2014), 6(10), 5208-5216, database is CAplus and MEDLINE.

Driven by mol. affinity and balance in the crystallization kinetics, the ability to co-crystallize dissimilar yet self-crystallizable blocks of a block copolymer (BCP) into a uniform domain may strongly affect its phase diagram. In this study, we synthesize a new series of crystalline and monodisperse all-π-conjugated poly(2,5-dihexyloxy-p-phenylene)-b-poly(3-(2-ethylhexyl)thiophene) (PPP-P3EHT) BCPs and investigate this multi-crystallization effect. Despite vastly different side-chain and main-chain structures, PPP and P3EHT blocks are able to co-crystallize into a single uniform domain comprising PPP and P3EHT main-chains with mutually interdigitated side-chains spaced in-between. With increasing P3EHT fraction, PPP-P3EHTs undergo sequential phase transitions and form hierarchical superstructures including predominately PPP nanofibrils, co-crystalline nanofibrils, a bilayer co-crystalline/pure P3EHT lamellar structure, a microphase-separated bilayer PPP-P3EHT lamellar structure, and finally P3EHT nanofibrils. In particular, the presence of the new co-crystalline lamellar structure is the manifestation of the interaction balance between self-crystallization and co-crystallization of the dissimilar polymers on the resulting nanostructure of the BCP. The current study demonstrates the co-crystallization nature of all-conjugated BCPs with different main-chain moieties and may provide new guidelines for the organization of π-conjugated BCPs for future optoelectronic applications.

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

Bao, Rui-Peng’s team published research in Organic Letters in 21 | CAS: 21101-63-3

Organic Letters 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, Category: bromides-buliding-blocks.

Bao, Rui-Peng published the artcileIr(III)-Catalyzed Mono-Olefination of Aryl C-H Bonds Using -SCF₃ as a Weak Directing Group, Category: bromides-buliding-blocks, the publication is Organic Letters (2019), 21(19), 8116-8121, database is CAplus and MEDLINE.

The trifluoromethylthionyl group (-SCF₃) is an efficient weak directing group for Ir(III)-catalyzed aryl C-H olefination. Various trifluoromethylthioethers provide high levels of mono-olefination products in good to excellent yields under mild conditions with a 2,2′-bipyridine ligand or AgBF₄ as an additive. Mechanistic studies indicate the C-H cleavage is the rate-determining step. The directing group ability of the -SCF₃ group is benchmarked against several other weak directing groups by competition experiments under Ir(III)-catalyzed conditions.

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

Zhang, Shuzhen’s team published research in ChemMedChem in 8 | CAS: 76283-09-5

ChemMedChem 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 C6H9N3, HPLC of Formula: 76283-09-5.

Zhang, Shuzhen published the artcileEffect of C7 modifications on benzothiadiazine-1,1-dioxide derivatives on their inhibitory activity and selectivity toward aldose reductase, HPLC of Formula: 76283-09-5, the publication is ChemMedChem (2013), 8(4), 603-613, database is CAplus and MEDLINE.

The development and progression of chronic complications in diabetic patients, such as retinopathy, nephropathy, neuropathy, cataracts, and stroke, are related to the activation and/or overexpression of aldose reductase (ALR2), which is a member of the aldo-keto reductase superfamily. A structure-activity relationship study focused on the C7 position of 1,2,4-benzothiadiazine-1,1-dioxide derivatives was pursued in an attempt to discover ALR2 inhibitors with enhanced potency and selectivity. These studies led to a series of new C7-substituted compounds, which were evaluated for their inhibitory activity against ALR2; they exhibited IC₅₀ values in the range of 2.80-45.13 nM. Two compounds with a C7-dimethylcarbamoyl and a C7-diethylcarbamoyl substituent, resp., were found to be the most active and presented excellent selectivity for ALR2 over aldehyde reductase (ALR1). The structure-activity relationship analyses and mol. modeling studies presented herein highlight the importance of hydrophobic and bulky groups at the C7 position for inhibitory activity and selectivity toward ALR2.

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

Dai, Chaofeng’s team published research in Chemical Communications (Cambridge, United Kingdom) in 47 | CAS: 166821-88-1

Dai, Chaofeng published the artcileUsing boronolectin in MALDI-MS imaging for the histological analysis of cancer tissue expressing the sialyl Lewis X antigen, Name: 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane, the publication is Chemical Communications (Cambridge, United Kingdom) (2011), 47(37), 10338-10340, database is CAplus and MEDLINE.

Certain carbohydrate-based biomarkers are known to correlate with cancer formation and progression. By targeting sialyl Lewis X, the authors have developed the first boronolectin-MS tag conjugate, which allows for MALDI-based imaging of cancer based on its cell surface carbohydrate.

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