Month: November 2022

Chang, L. L. published the artcilePotent triazolinone-based angiotensin II receptor antagonists with equivalent affinity for both the AT₁ and AT₂ subtypes, Name: 4-Bromo-1-(bromomethyl)-2-fluorobenzene, the publication is Bioorganic & Medicinal Chemistry Letters (1994), 4(23), 2787-92, database is CAplus.

A series of subnanomolar (IC₅₀) triazolinone-based AT₁/AT₂-balanced AII antagonists has been identified. The 70-240-fold gain in AT₂ activity relative to prototype compounds was achieved by the introduction of a 5-acylamino group on the N²-aryl moiety and the addition of (3-F-5′-Pr)biphenyl substituents on 4. These analogs exhibited AT₂/AT₁ IC₅₀ ratios of ≤1 in multiple assay systems including human adrenal gland.

Bioorganic & Medicinal Chemistry Letters 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, Name: 4-Bromo-1-(bromomethyl)-2-fluorobenzene.

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

Sarfraz, Ayesha published the artcileSynthesis, In silico and in vitro studies of Silver(I)-N-heterocyclic carbene complexes, Quality Control of 111-83-1, the publication is Journal of Molecular Structure (2022), 131946, database is CAplus.

In the present study, four silver based NHC (N-heterocyclic carbene) complexes (1c–4c) were designed and synthesized from their precursor salts (1b–4b). The successful synthesis of salts and complexes was assured through spectroscopic techniques (UV-visible, FTIR, ¹H NMR) as well as mass spectrometry. The in silico ADMET study and mol. docking calculations predicted the compounds are good drug candidates having therapeutic potential against multiple cancer targets including COX-1, VEGFA, HIF as well as VGF. Results of in vitro study conducted through MTT assay confirmed that all test compounds have concentration dependent potency but silver complexes (1c–4c) have far superior activity than precursor, salts (1b–4b) and slightly lower than standard drugs (carboplatin and cisplatin) against various cancer cell lines. Among the studied compounds, 3c showed lowest IC₅₀ value of 0.981 ± 0.09, 1.10 ± 0.14 and 0.973 ± 0.12μg/mL against MCF-7, HCT-116 and A549 resp. The test compounds were found good antibacterial agents, when screened against bacterial strains (Staphylococcus aureus, Micrococcus luteus, Escherichia coli and S. typhimurium), as well as antioxidant agents when tested against DPPH free radicals.

Journal of Molecular Structure 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, Quality Control of 111-83-1.

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

Kajigaeshi, Shoji published the artcileOxidation using quaternary ammonium polyhalides. I. An efficient method for the Hofmann degradation of amides by use of benzyltrimethylammonium tribromide, COA of Formula: C10H16Br3N, the publication is Chemistry Letters (1989), 463-4, database is CAplus.

The reaction of amides with a calculated amount of benzyltrimethylammonium tribromide (I) in aqueous NaOH under mild conditions gave corresponding amines in fairly good yields. Thus benzmide gave 72% aniline in the presence of I in aqueous NaOH.

Chemistry Letters 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 C10H16Br3N, COA of Formula: C10H16Br3N.

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

Mylari, Banavara L. published the artcileA novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one and congeners, Category: bromides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2005), 48(20), 6326-6339, database is CAplus and MEDLINE.

Discovery of a highly selective, potent, and safe non-carboxylic acid, non-hydantoin inhibitor of aldose reductase (AR) capable of potently blocking the excess glucose flux through the polyol pathway that prevails under diabetic conditions has been a long-standing challenge. In response, we did high-throughput screening of our internal libraries of compounds and identified 6-phenylsulfonylpyridazin-2H-3-one, 8, which showed modest inhibition of AR, both in vitro and in vivo. Initial structure-activity relationships concentrated on Ph substituents and led to 6-(2,4-dichlorophenylsulfonyl)-2H-pyridazin-3-one, 8l, which was more potent than 8, both in vitro and in vivo. Incorporation of extant literature findings with other aldose reductase inhibitors, including zopolrestat, resulted in the title inhibitor, 19m, which is one of the most potent and highly selective non-carboxylic acid, non-hydantoin inhibitors of AR yet described (IC₅₀, 1 nM; ED₉₀ vs sciatic nerve sorbitol and fructose, resp., 0.8 and 4.0 mg/kg). In rats, its oral bioavailability is 98% and it has a favorable plasma t_1/2 (26 ± 3 h).

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, Category: bromides-buliding-blocks.

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

Fujita, Takeshi published the artcileCatalytic defluorinative [3 + 2] cycloaddition of trifluoromethylalkenes with alkynes via reduction of nickel(II) fluoride species, Name: 7-Bromohept-1-yne, the publication is Dalton Transactions (2015), 44(45), 19460-19463, database is CAplus and MEDLINE.

Nickel-catalyzed [3+2] cycloaddition of 2-trifluoromethyl-1-alkenes with alkynes via domino C-F bond activation was achieved by sequential β-fluorine elimination to give corresponding cyclopentadienes I [R¹ = C₆H₅, 3-FC₆H₄, t-BuOC(O), etc.; R² = n-Pr, iPr; R³ = Me, n-Pr] regioselectively. The nickel(II) fluoride species formed in this reaction was reduced by a diboron compound, regenerating the catalytically active nickel(0) species.

Dalton Transactions published new progress about 81216-14-0. 81216-14-0 belongs to bromides-buliding-blocks, auxiliary class Linker,PROTAC Linker, name is 7-Bromohept-1-yne, and the molecular formula is C7H11Br, Name: 7-Bromohept-1-yne.

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

O’Brien, Luke published the artcileGold(I)-Catalyzed Nucleophilic Allylation of Azinium Ions with Allylboronates, Category: bromides-buliding-blocks, the publication is Angewandte Chemie, International Edition (2022), 61(22), e202202305, database is CAplus and MEDLINE.

Gold(I)-catalyzed nucleophilic allylations of pyridinium and quinolinium ions with various allyl pinacolboronates was reported. The reactions was completely selective with respect to the site of the azinium ion that was attacked, to give various functionalized 1,4-dihydropyridines and 1,4-dihydroquinolines. Evidence suggested that the reactions proceed through nucleophilic allylgold(I) intermediates formed by transmetalation from allylboronates. D. functional theory (DFT) calculations provided mechanistic insight.

Angewandte Chemie, International Edition 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, Category: bromides-buliding-blocks.

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

D′Agostino, Ilaria published the artcileAntibacterial alkylguanidino ureas: Molecular simplification approach, searching for membrane-based MoA, Recommanded Product: 1-Bromooctane, the publication is European Journal of Medicinal Chemistry (2022), 114158, database is CAplus and MEDLINE.

The ever-faster rise of antimicrobial resistance (AMR) represents a major global Public Health challenge. New chem. entities with innovative Modes of Action (MoAs) are thus desirable. We recently reported the development of a novel class of broad-spectrum bactericidal agents, the AlkylGuanidino Ureas (AGU). Due to their polycationic structure, they likely target bacterial membranes. In order to better understand their MoA, we synthesized a library of AGU derivatives by structural simplification of selected hit compounds and developed specific assays based on membrane models by means of both anal. and computational techniques. Cell-based assays provided exptl. evidence that AGUs disrupt bacterial membranes without showing hemolytic behavior. Hence, we herein report a thorough chem. and biol. characterization of a new series of AGUs obtained through mol. simplification, allowing the rational design of potent antibacterial compounds active on antibiotic-resistant strains.

European Journal of Medicinal Chemistry 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, Recommanded Product: 1-Bromooctane.

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

Wu, Yulin published the artcileDiscovery of a Highly Potent, Nonabsorbable Apical Sodium-Dependent Bile Acid Transporter Inhibitor (GSK2330672) for Treatment of Type 2 Diabetes, SDS of cas: 55788-44-8, the publication is Journal of Medicinal Chemistry (2013), 56(12), 5094-5114, database is CAplus and MEDLINE.

The apical sodium-dependent bile acid transporter (ASBT) transports bile salts from the lumen of the gastrointestinal (GI) tract to the liver via the portal vein. Multiple pharmaceutical companies have exploited the physiol. link between ASBT and hepatic cholesterol metabolism, which led to the clin. investigation of ASBT inhibitors as lipid-lowering agents. While modest lipid effects were demonstrated, the potential utility of ASBT inhibitors for treatment of type 2 diabetes has been relatively unexplored. We initiated a lead optimization effort that focused on the identification of a potent, nonabsorbable ASBT inhibitor starting from the first-generation inhibitor 264W94 (1). Extensive SAR studies culminated in the discovery of GSK2330672 (56) as a highly potent, nonabsorbable ASBT inhibitor which lowers glucose in an animal model of type 2 diabetes and shows excellent developability properties for evaluating the potential therapeutic utility of a nonabsorbable ASBT inhibitor for treatment of patients with type 2 diabetes.

Journal of Medicinal Chemistry published new progress about 55788-44-8. 55788-44-8 belongs to bromides-buliding-blocks, auxiliary class Bromide,Salt,Aliphatic hydrocarbon chain,Aliphatic hydrocarbon chain, name is Sodium 3-bromopropane-1-sulfonate, and the molecular formula is C9H7NO2, SDS of cas: 55788-44-8.

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

Murakami, Yukito published the artcileTransition-metal complexes of pyrrole pigments. 16. Cobalt complexes of 1,19-dimethyldehydrocorrins as vitamin B₁₂ models, Name: 3-Bromo-2-methylpropanoic acid, the publication is Journal of the American Chemical Society (1980), 102(22), 6736-44, database is CAplus.

The Co complexes of 1,19-dimethyl-B,C-didehydrocorrin (BDHC) and its tetradehydro analog (TDHC), both having addnl. double bonds at peripheral positions and an addnl. angular Me group compared with the parent corrinoid, were investigated from the viewpoint of vitamin B₁₂ chem. The electronic effect of peripheral double bonds in TDHC is significant, and the TDHC complex is far from analogous to the corrinoid, whereas the BDHC complex is quite analogous to the corrinoid as far as the electronic properties are concerned on the basis of their spectroscopic, electrochem., and axial coordination behaviors. The angular Me groups in the BDHC complex exert an usually large steric effect in the bimol. reactions of Co^I(BDHC) with alkyl donors which result in the formation of an alkyl-Co bond. The steric interaction energies between an axial ligand and an angular Me and between an axial alkyl ligand and the macrocyclic skeleton are estimated from the kinetic and thermodn. data. The BDHC complex coordinated with a bulky alkyl ligand at its axial site undergoes a novel heterolytic C-Co bond cleavage in acidic media, giving Co(III) and a carbanionic intermediate under photolytic conditions and even in the dark. In reference to the electrochem. data for the BDHC complex and the related Co complexes, the significant steric pressure provided by BDHC on the bulky axial ligand is responsible for the heterolytic C-Co cleavage. Significance of the steric pressure effect is briefly discussed in connection with the mechanism for 1,2-rearrangement of substituents placed in the alkyl ligand. A synthetic usage of the BDHC complex as a catalyst for the selective reduction of a primary alkyl bromide is also described.

Journal of the American Chemical Society published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Name: 3-Bromo-2-methylpropanoic acid.

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

Fuchibe, Kohei published the artcileCopper(I)-Catalyzed [4 + 1] Cycloaddition of Silyl Dienol Ethers with Sodium Bromodifluoroacetate: Access to β,β-Difluorocyclopentanone Derivatives, COA of Formula: C30H24BrCuN2P, the publication is Organic Letters (2016), 18(18), 4502-4505, database is CAplus and MEDLINE.

Silyl dienol ethers readily underwent copper(I)-catalyzed [4 + 1] cycloaddition with sodium bromodifluoroacetate to afford 4,4-difluorocyclopent-1-en-1-yl silyl ethers. On the basis of high-resolution mass spectroscopy anal., annulation presumably proceeded via a copper(I) difluorocarbene complex, which represents an unprecedented example of [4 + 1] cycloadditions promoted by a transition metal difluorocarbene complex.

Organic Letters published new progress about 25753-84-8. 25753-84-8 belongs to bromides-buliding-blocks, auxiliary class Copper, name is Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I), and the molecular formula is C30H24BrCuN2P, COA of Formula: C30H24BrCuN2P.

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