Month: December 2022

Anghel, D. F. published the artcileAnionic surfactant analysis from micellar solutions, Recommanded Product: Dimidium bromide, the publication is Revue Roumaine de Chimie (1978), 23(2), 251-3, database is CAplus.

The content of Na alkylarenesulfonate or petroleum sulfonate in micellar solutions used for petroleum recovery was determined by the 2-phase titration method using methylene blue [61-73-4], bromcresol green [76-60-8], or dimidium bromide [518-67-2]-Disulphine Blue VN [129-17-9] mixture as the indicator. The last 2 indicators gave the most accurate determinations, but the bromcresol green method gave high values when the hydrocarbon of the micellar solution contained fatty acids. The presence of crude oil caused difficulties in end-point determination Nonionic surfactants and alcs. did not interfere.

Revue Roumaine de Chimie 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, Recommanded Product: Dimidium bromide.

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

Chen, Lin X. published the artcileNovel Nanoscale Organic Materials for Optimal Photovoltaic Functions, Application of 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is Materials Research Society Symposium Proceedings (2007), No pp. given, Paper #: 0974-CC06-11, database is CAplus.

Covalently linked electron donor (D) and electron acceptor (A) with conjugated organic building blocks are novel materials for potential solar cell applications, because these mol. p-n junctions can minimize the exciton diffusion and transform the charge separation from interdomain to intramol. processes. Hence, the bottleneck of the exciton diffusion in many bulk heterojunction materials can be eliminated. Meanwhile, these planar conjugated assemblies, such as supermols., multiblock oligomers and polymers, have strong tendency to p-p stacking to form continuous channels for charge carriers to hop/diffuse to resp. electrodes. A quartet D-A assembly has been synthesized with bis-oligothiophene (BOTH) and bis-perylenediimide (BPDI) derivatives attached to a benzo template. The electronic structures and dynamics of photoinduced charge separation and recombination of this quartet mol. and reference compounds in solutions and films were studied at isolated the mol. level in solutions as well as at the mol. assembly level in films with stacked structures. Two different dynamics of charge separation and recombination associated with two types of donor/acceptor pair conformations in solution were observed This mol. system exhibits a more efficient charge separation than charge recombination processes in both polar and non-polar organic solvents, as well as films. More efficient charge separation and slower charge recombination due to the covalent linkage indicating that the material is a potential candidate for photovoltaic studies in solid-state.

Materials Research Society Symposium Proceedings 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, Application of 2-Bromo-3-(2-ethylhexyl)thiophene.

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

Sparks, Richard B. published the artcileBenzothiazole benzimidazole (S)-isothiazolidinone derivatives as protein tyrosine phosphatase-1B inhibitors, Quality Control of 111865-47-5, the publication is Bioorganic & Medicinal Chemistry Letters (2007), 17(3), 736-740, database is CAplus and MEDLINE.

Benzothiazole benzimidazole (S)-isothiazolidinone ((S)-IZD) derivatives 5 were discovered through a peptidomimetic modification of the tripeptide (S)-IZD protein tyrosine phosphatase 1B (PTP1B) inhibitor 1. These derivatives are potent, competitive, and reversible inhibitors of PTP1B with improved caco-2 permeability. An X-ray co-crystal structure of inhibitor 5/PTP1B at 2.2 Å resolution demonstrated that the benzothiazole benzimidazole forms bi-dentate H-bonds to Asp48, and the benzothiazole interacts with the surface of the protein in a solvent exposed region towards the C-site. The design, synthesis, and SAR of this novel series of benzothiazole benzimidazole containing (S)-IZD inhibitors of PTP1B are presented herein.

Bioorganic & Medicinal 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 C9H8BNO2, Quality Control of 111865-47-5.

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

Koehne, Ingo published the artcileSynthesis of Geminal Bis- and Tetrakisphosphonate Ester Derivatives and Their Coordination Behavior Towards Ca(II) Ions, Synthetic Route of 21101-63-3, the publication is European Journal of Inorganic Chemistry (2022), 2022(17), e202200194, database is CAplus.

The preparation and thorough characterization of a variety of (arylmethylene)phosphonate ester derivatives (S1-S7) as well as derived geminal bisphosphonate (BP) ester ligands (L1-L7) is presented. Subsequent complexation reactions of CaCl₂ with selected BPs (L1-L3) and a known aliphatic tetrakisphosphonate ester (L8) yield the resp. Ca(II) coordination compounds [Ca(H₂O)₂(L1-L3)₂]Cl₂ (C1-C3) and [Ca(L8)Cl₂]_n (C4) for potential future application as multi-delivery systems in osteoporosis treatment. Obtained SCXRD and ¹H DOSY-NMR data provide a detailed insight into their solid- as well as solution-state structures extending the so far scarcely found X-ray studies on geminal BP-supported Ca(II) complexes.

European Journal of Inorganic 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, Synthetic Route of 21101-63-3.

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

Doerfler, H. D. published the artcileMiscibility behavior of ternary lipid/phospholipid/water systems, Formula: C20H18BrN3, the publication is Colloid and Polymer Science (1990), 268(6), 559-66, database is CAplus.

Differential-scanning-calorimetry was applied to study the lyotropic and thermotropic properties of the 2 ternary systems dimyristoylcephaline (di-(C14:0)-PE)/palmitic acid (C₁₅COOMe)/H₂O in dispersions with excess H₂O (50 weight%). The phase diagrams of both systems showed that the 2 systems differ in their miscibility behavior. The system di(C14:0)-PE/C₁₅COOH/H₂O is completely miscible in its high-temperature phase. In the low-temperature phase, a miscibility gap was found within the concentration range of C₁₅COOH was also indicated by a maximum value of the transition enthalpy of the pseudo-binary mixtures In the pseudo-binary system di(C14:0)-PCCOOMe/H₂O, the tendency towards demixing is much more pronounced. It was observed that the incorporated C₁₅COOMe melted above its normal m.p., but below the transition temperature of di-(C14:0)-PE/H₂O system; therefore, the phase transition started at lower temperature In the low-temperature phase, both lipids are partially miscible. The demixing range of the phase diagram lies within the concentration region of C₁₅COOMe. Up to mol fraction x_C15COOMe = 0.43 C₁₅COOMe can be incorporated into the L_β-phase of the system di-(Cl14:0)-PE/H₂O.

Colloid and Polymer Science 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, Formula: C20H18BrN3.

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

Son, Jung-Ho published the artcile1-Benzylspiro[piperidine-4,1′-pyrido[3,4-b]indole] ‘co-potentiators’ for minimal function CFTR mutants, Application In Synthesis of 76283-09-5, the publication is European Journal of Medicinal Chemistry (2021), 112888, database is CAplus and MEDLINE.

A spiro [piperidine-4,1-pyrido [3,4-b]indoles] I (R¹ = 6-OMe, 6-Br, 6-Cl, 7-OMe; R² = benzyl, furan-2-ylmethyl, pyridin-2-ylmethyl, etc.) class of co-potentiators that function in synergy with existing CFTR potentiators such as VX-770 or GLGP1837 to restore channel activity of a defined subset of minimal function cystic fibrosis transmembrane conductance regulator (CFTR) mutants has been described. Here, structure-activity studies were conducted to improve their potency over the previously identified compound, I (R¹ = 6-OMe; R² = benzyl) 20 (originally termed CP-A01). Targeted synthesis of 37 spiro [piperidine-4,1-pyrido [3,4-b]indoles] I was generally accomplished using versatile two or three step reaction protocols with each step having high efficiency. Structure-activity relationship studies established that analog I [R¹ = 6-OMe; R² = (2,4,5-trifluorophenyl)methyl], with 6′-methoxyindole and 2,4,5-trifluorobenzyl substituents, had the greatest potency for activation of N1303K-CFTR, with EC50 ∼600 nM representing an ∼17-fold improvement over the original compound identified in a small mol. screen.

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 C28H29NO4, Application In Synthesis of 76283-09-5.

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

Arora, Vinod K. published the artcileA novel ring oxidation of 4- or 5-substituted 2H-oxazole to corresponding 2-oxazolone catalyzed by cytosolic aldehyde oxidase, COA of Formula: C9H6BrNO, the publication is Drug Metabolism & Disposition (2012), 40(9), 1668-1676, database is CAplus and MEDLINE.

The ring oxidation of 2H-oxazole, or C2-unsubstituted oxazole, to 2-oxazolone, a cyclic carbamate, was observed on various 4- or 5-substituted oxazoles. Using 5-(3-bromophenyl)oxazole as a model compound, its 2-oxazolone metabolite M1 was fully characterized by liquid chromatog./tandem mass spectrometry and NMR. The reaction mainly occurred in the liver cytosolic fraction without the requirement of cytochrome P 450 enzymes and cofactor NADPH. Investigations into the mechanism of formation of 2-oxazolone using various chem. inhibitors indicated that the reaction was primarily catalyzed by aldehyde oxidase and not by xanthine oxidase. In addition, cytosol incubation of 5-(3-bromophenyl)oxazole in the medium containing H₂¹⁸O led to the ¹⁸O incorporation into M1, substantiating the reaction mechanism of a typical molybdenum hydroxylase. The rank order of liver cytosols for the 2-oxazolone formation was mouse > monkey >> rat and human liver cytosol, whereas M1 was not formed in dog liver cytosol. Because the reaction was observed with a number of 4- or 5-substituted 2H-oxazoles in mouse liver cytosols, 2H-oxazoles represent a new substrate chemotype for ring oxidation catalyzed by aldehyde oxidase.

Drug Metabolism & Disposition published new progress about 243455-57-4. 243455-57-4 belongs to bromides-buliding-blocks, auxiliary class Oxazole,Bromide,Benzene, name is 5-(3-Bromophenyl)oxazole, and the molecular formula is C9H6BrNO, COA of Formula: C9H6BrNO.

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

Wager, Travis T. published the artcileDiscovery of Two Clinical Histamine H₃ Receptor Antagonists: trans-N-Ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarboxamide (PF-03654746) and trans-3-Fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutanecarboxamide (PF-03654764), Related Products of bromides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2011), 54(21), 7602-7620, database is CAplus and MEDLINE.

The discovery of two histamine H₃ antagonist clin. candidates is disclosed. The pathway to identification of the two clin. candidates, 6 (PF-03654746, I, R=Et) and 7 (PF-03654764, I, R=isobutyl) required five hypothesis driven design cycles. The key to success in identifying these clin. candidates was the development of a compound design strategy that leveraged medicinal chem. knowledge and traditional assays in conjunction with computational and in vitro safety tools. Overall, clin. compounds 6 and 7 exceeded conservative safety margins and possessed optimal pharmacol. and pharmacokinetic profiles, thus achieving our initial goal of identifying compounds with fully aligned oral drug attributes, “best-in-class” mols.

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 C6H8O3, Related Products of bromides-buliding-blocks.

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

Khedar, Poonam published the artcileClick chemistry inspired synthesis of piperazine-triazole derivatives and evaluation of their antimicrobial activities, HPLC of Formula: 76283-09-5, the publication is Medicinal Chemistry Research (2015), 24(7), 3117-3126, database is CAplus.

A series of novel piperazine-1,2,3-triazole derivatives I [R¹ = H, 4-F, 4-Cl, etc; R² = H, Cl, F; R³ = H, F, Cl, Br.], which entailed the bioisosteric replacement of the imidazole moiety and hybridization of two drug scaffolds was prepared by employing the regioselective copper (I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition reaction. The synthesized compounds were evaluated for antibacterial activities against Gram-neg. (E. Coli and P. Putida), Gram-pos. S. Aureus bacteria and fungicidal activities against F. oxysporum, F. gramillarium and F. monalliforme fungi. Compound I [ R¹ = H, R² = Cl, R³ = F] exhibited moderate but promising antibacterial activity against Gram-neg. bacteria and fungicidal activity against F. oxysporum and F. gramillarium.

Medicinal Chemistry Research 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, HPLC of Formula: 76283-09-5.

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

Luo, Qi published the artcileSynthesis of Metal-Containing Poly(thiophene methines) via Solid- and Melt-State Polymerization and Their Related Applications as Highly Sensitive Ni²⁺ Chemosensors, Name: 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is Organometallics (2019), 38(3), 647-653, database is CAplus.

Metal-containing polymers have attracted continuous interest, for they combine the features of a metal complex and a polymer. Here, a series of thiophene methine based phenanthroline ligands (L1–L4) and their metal (Zn(II) and Cd(II)) complexes were prepared as monomers. Accordingly, metal-containing poly(thiophene methines) were prepared from these metal complexes via solid- and melt-state polymerization (S(M)SP). The polymerization process was preliminarily investigated by a crystal structure study, NMR anal., and absorbance spectra. Furthermore, the metal-free polymer (PL4) prepared directly from the ligand via MSP was tested as a metal ion chemosensor, which showed good selectivity and excellent sensitivity toward Ni²⁺ with a detection limit of 4.1 × 10^-9 M.

Organometallics 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, Name: 2-Bromo-3-(2-ethylhexyl)thiophene.

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