Month: November 2022

Shibuya, Kimiyuki published the artcileDesign, synthesis and pharmacology of aortic-selective acyl-CoA: Cholesterol O-acyltransferase (ACAT/SOAT) inhibitors, Application of 15-Bromopentadecanoic acid, the main research area is ACAT SOAT inhibitor aorta selectivity antiatherosclerotic lipid accumulation atherosclerosis; ACAT-1 (aortic ACAT); ACAT-2 (intestinal ACAT); Acyl-CoA:cholesterol O-acyltransferase (ACAT/SOAT); Atherosclerosis; Cholesterol esters (CEs); Double-induced fit; Isoform-selectivity; Lipid-accumulation areas.

We describe our mol. design of aortic-selective acyl-CoA:cholesterol O-acyltransferase (ACAT, also abbreviated as SOAT) inhibitors, their structure-activity relationships (SARs) and their pharmacokinetic (PK) and pharmacol. profiles. The connection of two weak ligands-N-(2,6-diisopropylphenyl)acetamide (50% inhibitory concentration [IC50] = 8.6 μM) and 2-(methylthio)benzo[d]oxazole (IC50 = 31 μM)-via a linker comprising a 6 methylene group chains yielded a highly potent mol., 9-(benzo[d]oxazol-2-ylthio)-N-(2,6-diisopropylphenyl)nonanamide (3h) that exhibited high potency (IC50 = 0.004 μM) toward aortic ACAT. This head-to-tail design made it possible to markedly enhance the activity to 2150- to 7750-fold and to discriminate the isoform-selectivity based on the double-induced fit mechanism. At doses of 1 and 3 mg/kg, 3h significantly decreased the lipid-accumulation areas in the aortic arch to 74 and 69%, resp. without reducing the plasma total cholesterol level in high fat- and cholesterol-fed F1B hamsters. Here, we demonstrate the antiatherosclerotic effect of 3h in vivo via its direct action on aortic ACAT and its powerful modulator of cholesterol level. This mol. is a potential therapeutic agent for the treatment of diseases involving ACAT-1 overexpression.

Bioorganic & Medicinal Chemistry published new progress about Antiatherosclerotics. 56523-59-2 belongs to class bromides-buliding-blocks, name is 15-Bromopentadecanoic acid, and the molecular formula is C15H29BrO2, Application of 15-Bromopentadecanoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Briand, Loic published the artcileCharacterization of a chemosensory protein (ASP3c) from honeybee (Apis mellifera L.) as a brood pheromone carrier, HPLC of Formula: 56523-59-2, the main research area is chemosensory protein sequence characterization honey bee.

We report the cloning of a honeybee chemosensory proteins (CSP) gene called ASP3c, as well as the structural and functional characterization of the encoded protein. The protein was heterologously secreted by the yeast Pichia pastoris using the native signal peptide. ASP3c disulfide bonds were assigned after trypsinolysis followed by chromatog. and mass spectrometry combined with microsequencing. The pairing (Cys(I)-Cys(II), Cys(III)-Cys(IV)) was found to be identical to that of Schistocerca gregaria CSPs, suggesting that this pattern occurs commonly throughout the insect CSPs. CD measurements revealed that ASP3c mainly consists of α-helixes, like other insect CSPs. Gel filtration anal. showed that ASP3c is monomeric at neutral pH. Using ASA, a fluorescent fatty acid anthroyloxy analog as a probe, ASP3c was shown to bind specifically to large fatty acids and ester derivatives, which are brood pheromone components, in the micromolar range. It was unable to bind tested general odorants and other tested pheromones (sexual and nonsexual). This is the 1st report on a natural pheromonal ligand bound by a recombinant CSP with a measured affinity constant

European Journal of Biochemistry published new progress about Antenna (anatomical). 56523-59-2 belongs to class bromides-buliding-blocks, name is 15-Bromopentadecanoic acid, and the molecular formula is C15H29BrO2, HPLC of Formula: 56523-59-2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Degui published the artcileFree radical induced oxidation of phloroglucinol. A pulse radiolysis and EPR study, Category: bromides-buliding-blocks, the main research area is radical induced oxidation phloroglucinol ESR; pulse radiolysis phloroglucinol.

Phloroglucinol (I)-derived radicals have been studied using pulse radiolysis and EPR spectroscopy. I (pKa = 8.0) and its anion (II) (pKa = 9.2) have phenolic structures while the 3,5-dihydrocyclohex-2,5-dienone structure predominates in the dianion (III). The neutral OH-adduct radicals (IIIa; λmax = 345 nm) rapidly eliminate water (k = 2 × 105 s-1) yielding the 3,5-dihydroxyphenoxyl radical (IV; λmax = 495 nm, pKa = 6.5). IV and its monoanion (V; λmax = 550 nm, pKa = 8.6), its isomer VI, derived from III (λmax > 800 nm), and the dianion (VII; λmax = 640 nm) can be generated directly with the N3 radical (k = 1.4 × 109 dm3 mol-1 s-1 at pH 6). All four radicals have been characterized by EPR. VI reacts with the phloroglucinol monoanion II with a rate constant of 2 × 107 dm3 mol-1 s-1. Formation of an adduct is excluded by EPR. Therefore, electron transfer from II to VI is favored as an explanation for this reaction. IV does not react with O2 (k < 4 × 105 dm3 mol-1 s-1); the anions V and VI do so quite rapidly (k = 2.1 × 108 and 1.9 × 108 dm3 mol-1 s-1, resp.) and at pH 7, O2 is consumed with G = 15 × 10-7 mol J-1. Although Br2•- mainly produces radicals IV and V, bromination occurs with an efficiency of at least 10%. Journal of the Chemical Society, Perkin Transactions 3: Physical Organic Chemistry published new progress about Autoxidation kinetics. 84743-77-1 belongs to class bromides-buliding-blocks, name is 2-Bromobenzene-1,3,5-triol, and the molecular formula is C6H5BrO3, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Talukdar, Abhijit published the artcileGas chromatography- mass spectrometric analysis of the essential oil of eaglewood (Aquilaria agallocha Roxb), Category: bromides-buliding-blocks, the main research area is Aquilaria essential oil furanoid aldehyde ketone alc acid.

Objective: The investigation was carried out to study the phytochem. constituents of agar oil of Aquilaria agallocha grown in Assam. Methods: Fungal infected agar laden wooden chips grown in Assam were soaked in water for 6 to 7 days and grounded into smaller pieces and hydro distilled to obtain the oil. 2 μL of the oil sample diluted in methanol was used for GC/MS anal. to study the chem. constituents. Results: GC-MS anal. of the oil has shown the presence of at least 35 different compounds, out of which 17 compounds were identified. Three furanoids viz. 3 methyl-2-(2 methyl-2-butenyl)-furan; 2-isobuteyl-3 Me furan and 3-methyl-2-(2-oxopropyl)furan were identified as the main aromatic components of the oil. Besides these, some acids, ketones alc. and aldehydes were also identified and reported here. Conclusion: Variation in the quality of the oil has been observed depending upon geog. region on which the trees are grown, age of the plant and extent of disease lesions formed in the wood, which was evident by studying the phytochem. constituents of the oil.

International Journal of Pharmacy and Pharmaceutical Sciences published new progress about Aquilaria malaccensis. 56523-59-2 belongs to class bromides-buliding-blocks, name is 15-Bromopentadecanoic acid, and the molecular formula is C15H29BrO2, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Ya-Jing published the artcileEnantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols, Safety of 2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the main research area is sulfamidate preparation enantioselective addition arylboronate cyclic sulfamidate alkylketimine; rhodium catalyzed arylation sulfamidate preparation alkylarylamino alc conversion.

The enantioselective rhodium-catalyzed 1,2-addition of arylboronates to cyclic N-sulfamidate alkylketimines was developed. With a rhodium/diene complex as catalyst, high enantioselectivity and broad functional group tolerance were observed The resulting sulfamidates can easily be converted into chiral β-alkyl-β-aryl amino alcs.

Organic Letters published new progress about 1,2-Addition reaction. 913836-27-8 belongs to class bromides-buliding-blocks, name is 2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C14H20BBrO3, Safety of 2-(4-(2-Bromoethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Singh, I. D. published the artcileElectronic absorption spectra of 3-fluoro-6-bromotoluene and 4-fluoro-3-bromotoluene vapors, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene, the main research area is electronic spectra fluorobromotoluene; toluene fluoro bromo electronic spectra.

The vapor absorption bands of 3-fluoro-6-bromotoluene (I) and 4-fluoro-3-bromotoluene (II), belonging to an allowed electronic transition, were photographed for the 1st time. I yields ∼70 sharp red-degraded bands in the 2560-2830-Å region with the (0,0) band at 2752.8 Å. The observed frequencies were 767 and 1008 cm-1 of the ground state and 256, 491, 688, and 1011 cm-1 of the excited state. In II, ∼55 red-degraded bands lying in the 2515-2835-Å region were obtained with the (0,0) band at 2745.5 A. These bands were explained in terms of 741- and 1004- cm-1 ground state and 238-, 448-, 607-, 860-, 1212-, and 1246- cm-1 excited-state fundamentals. These frequencies were assigned to definite modes of vibration and correlated with ir frequencies.

Indian Journal of Pure and Applied Physics published new progress about UV and visible spectra. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Recommanded Product: 1-Bromo-4-fluoro-2-methylbenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lortscher, Emanuel published the artcileCharge transport through molecular rods with reduced π-conjugation, Application In Synthesis of 452-63-1, the main research area is reduced pi conjugation oligophenylene mol rod charge transport.

A series of oligophenylene rods of increasing lengths is synthesized to investigate the charge-transport mechanisms. Me groups are attached to the Ph rings to weaken the electronic overlap of the π-subsystems along the mol. backbones. Out-of-plane rotation of the Ph rings is confirmed in the solid state by means of X-ray anal. and in solution by using UV/Vis spectroscopy. The influence of the reduced π-conjugation on the resonant charge transport is studied at the single-mol. level by using the mech. controllable break-junction technique. Experiments are performed under ultra-high-vacuum conditions at low temperature (50 K). A linear increase of the conductance gap with increasing number of Ph rings (from 260 meV for one ring to 580 meV for four rings) is revealed. In addition, the absolute conductance of the first resonant peaks does not depend on the length of the mol. wire. Resonant transport through the first MO is found to be dominated by charge-carrier injection into the mol., rather than by the intrinsic resistance of the mol. wire length.

ChemPhysChem published new progress about Conjugation (bond), π-. 452-63-1 belongs to class bromides-buliding-blocks, name is 1-Bromo-4-fluoro-2-methylbenzene, and the molecular formula is C7H6BrF, Application In Synthesis of 452-63-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Xuan published the artcileDiscovery of PROTAC BCL-XL degraders as potent anticancer agents with low on-target platelet toxicity, Related Products of bromides-buliding-blocks, the main research area is preparation PROTAC apoptosis BCLxL degrader cancer platelet toxicity; Apoptosis; BCL-X(L); Degradation; PROTAC; Platelet.

Anti-apoptotic protein BCL-XL plays a key role in tumorigenesis and cancer chemotherapy resistance, rendering it an attractive target for cancer treatment. However, BCL-XL inhibitors such as ABT-263 cannot be safely used in the clinic because platelets solely depend on BCL-XL to maintain their viability. To reduce the on-target platelet toxicity associated with the inhibition of BCL-XL, we designed and synthesized PROTAC BCL-XL degraders that recruit CRBN or VHL E3 ligase because both of these enzymes are poorly expressed in human platelets compared to various cancer cell lines. We confirmed that platelet-toxic BCL-XL/2 dual inhibitor ABT-263 can be converted into platelet-sparing CRBN/VHL-based BCL-XL specific degraders. A number of BCL-XL degraders are more potent in killing cancer cells than their parent compound ABT-263. Specifically, XZ739, a CRBN-dependent BCL-XL degrader, is 20-fold more potent than ABT-263 against MOLT-4 T-ALL cells and has >100-fold selectivity for MOLT-4 cells over human platelets. Our findings further demonstrated the utility of PROTAC technol. to achieve tissue selectivity through recruiting differentially expressed E3 ligases.

European Journal of Medicinal Chemistry published new progress about Antitumor agents (low). 55099-31-5 belongs to class bromides-buliding-blocks, name is Ethyl 10-bromodecanoate, and the molecular formula is C12H23BrO2, Related Products of bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Yi-Ting published the artcileNovel nucleocapsid protein-targeting phenanthridine inhibitors of SARS-CoV-2, COA of Formula: C8H7BrO3, the main research area is nucleocapsid protein phenanthridine inhibitor SARS CoV2 coronavirus COVID19; N-terminal domain; Nucleocapsid protein; Phenanthridine; SARS-CoV-2.

The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is unprecedented in human history. As a major structural protein, nucleocapsid protein (NPro) is critical to the replication of SARS-CoV-2. In this work, 17 NPro-targeting phenanthridine derivatives were rationally designed and synthesized, based on the crystal structure of NPro. Most of these compounds can interact with SARS-CoV-2 NPro tightly and inhibit the replication of SARS-CoV-2 in vitro. Compounds 12 and 16 exhibited the most potent anti-viral activities with 50% effective concentration values of 3.69 and 2.18μM, resp. Furthermore, site-directed mutagenesis of NPro and Surface Plasmon Resonance (SPR) assays revealed that 12 and 16 target N-terminal domain (NTD) of NPro by binding to Tyr109. This work found two potent anti-SARS-CoV-2 bioactive compounds and also indicated that SARS-CoV-2 NPro-NTD can be a target for new anti-virus agents.

European Journal of Medicinal Chemistry published new progress about Anticoronaviral agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, COA of Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Weixiong published the artcileDiscovery of highly potent SARS-CoV-2 Mpro inhibitors based on benzoisothiazolone scaffold, Formula: C8H7BrO3, the main research area is benzoisothiazolone scaffold SARSCoV2 coronavirus Mpro inhibitor COVID19; Benzoisothiazolone; COVID-19; Main protease inhibitors; SARS-CoV-2.

The COVID-19 pandemic has drastically impacted global economies and public health. Although vaccine development has been successful, it was not sufficient against more infectious mutant strains including the Delta variant indicating a need for alternative treatment strategies such as small mol. compound development. In this work, a series of SARS-CoV-2 main protease (Mpro) inhibitors were designed and tested based on the active compound from high-throughput diverse compound library screens. The most efficacious compound (16b-3) displayed potent SARS-CoV-2 Mpro inhibition with an IC50 value of 116 nM and selectivity against SARS-CoV-2 Mpro when compared to PLpro and RdRp. This new class of compounds could be used as potential leads for further optimization in anti COVID-19 drug discovery.

Bioorganic & Medicinal Chemistry Letters published new progress about Anticoronaviral agents. 74317-85-4 belongs to class bromides-buliding-blocks, name is 2-Bromo-4-methoxybenzoic acid, and the molecular formula is C8H7BrO3, Formula: C8H7BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary