Month: November 2022

Goeker, Hakan published the artcileSynthesis and potent antifungal activity against Candida species of some novel 1H-benzimidazoles, Safety of 4-Bromo-N-butyl-2-nitroaniline, the publication is Journal of Heterocyclic Chemistry (2009), 46(5), 936-948, database is CAplus.

A series of 47 novel N¹-alkylated-2-aryl-5(6)-substituted-1H-benzimidazoles and their three novel indole analogs were synthesized and evaluated for in vitro antifungal activities against Candida species by the tube dilution method. The results showed that I and II, having pyridine at the position C-2, of benzimidazoles exhibited the greatest activity with MIC values of 6.25-3.12 μg/mL. Indole analogs III (R¹ = H, R² = Br; R¹ = Pr, R² = Br, CN) have no inhibitory activity.

Journal of Heterocyclic Chemistry published new progress about 1036461-93-4. 1036461-93-4 belongs to bromides-buliding-blocks, auxiliary class Benzenes, name is 4-Bromo-N-butyl-2-nitroaniline, and the molecular formula is C10H13BrN2O2, Safety of 4-Bromo-N-butyl-2-nitroaniline.

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

King, James Frederick published the artcileReductive elimination of 1,2-dibromides with sodium borohydrides, Quality Control of 594-81-0, the publication is Canadian Journal of Chemistry (1968), 46(5), 805-8, database is CAplus.

Sodium trimethoxyborohydride or a 1:3 mixture of NaBH4 and sodium tetramethylborate reacts with a number of vicinal dibromides to form the corresponding olefin. Variable (sometimes good) yields were obtained when the Br atoms were on secondary or tertiary carbons, but little or no olefin was detected when one Br was primary.

Canadian Journal of Chemistry 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 C6H12Br2, Quality Control of 594-81-0.

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

Lartia, Remy published the artcileSynthetic Strategies to Derivatizable Triphenylamines Displaying High Two-Photon Absorption, Quality Control of 111865-47-5, the publication is Journal of Organic Chemistry (2008), 73(5), 1732-1744, database is CAplus and MEDLINE.

A versatile synthetic strategy to access a set of highly fluorescent π-conjugated triphenylamines bearing a functional linker at various positions on one Ph ring is described. These compounds were designed for large two-photon absorption (2PA) and in particular for labeling of biomols. The monoderivatized trisformylated or trisiodinated intermediates described herein allow introduction of a large variety of electron-withdrawing groups required for large 2PA as well as a panel of chem. functions suitable for coupling to biomols. The monoderivatized three-branched compounds and in particular the benzothiazole (TP-3Bz) series show remarkable linear (high extinction coefficients and high quantum yield) and nonlinear (high 2-photon cross sections) optical properties. The presence of functional side chains does not disturb the two-photon absorption. Finally, monoderivatized two-branched derivatives also appear to be valuable candidates. Altogether the good optical properties of the new derivatizable π-conjugated TPA combined with their small size and their compatibility with bioconjugation protocols suggest that they represent a new chem. class of labels potentially applicable for the tracking of biomols. using two-photon scanning microscopy.

Journal of Organic Chemistry 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, Quality Control of 111865-47-5.

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

Qiu, Hui published the artcileDiscovery of potent and selective reversible Bruton’s tyrosine kinase inhibitors, Quality Control of 76283-09-5, the publication is Bioorganic & Medicinal Chemistry (2021), 116163, database is CAplus and MEDLINE.

Bruton’s tyrosine kinase (BTK) is a cytoplasmic, non-receptor tyrosine kinase member of the TEC family of tyrosine kinases. Pre-clin. and clin. data have shown that targeting BTK can be used for the treatment for B-cell disorders. Here we disclose the discovery of a novel imidazo[4,5-b]pyridine series of potent, selective reversible BTK inhibitors through a rational design approach. From a starting hit mol. I, medicinal chem. optimization led to the development of a lead compound II, which exhibited 58 nM BTK inhibitory potency in human whole blood and high kinome selectivity. Addnl., the compound demonstrated favorable pharmacokinetics (PK), and showed potent dose-dependent efficacy in a rat CIA model.

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 C7H5Br2F, Quality Control of 76283-09-5.

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

Al-Hamouz, Othman Charles S. published the artcilepH-responsive polyphosphonates using butler’s cyclopolymerization, COA of Formula: C5H12BrO3P, the publication is Journal of Polymer Science, Part A: Polymer Chemistry (2012), 50(17), 3580-3591, database is CAplus.

The cationic monomer, N,N-diallyl-(diethylphosphonato)methylammonium chloride, and zwitterionic monomer, Et 3-(N,N-diallylammonio)methanephosphonate, were cyclopolymd. in aqueous solutions using ammonium persulfate or t-butylhydroperoxide as initiators to afford a cationic polyelectrolyte (CPE) and a polyzwitterion ester (PZE), resp. The CPE and PZE on acidic hydrolysis of the ester functionalities afforded the same polyzwitterionic acid (PZA): poly[3-(N,N-diallylammonio)methanephosphonic acid]. The solution properties of the CPE, pH-responsive PZE, and PZA were studied in detail by potentiometric and viscometric techniques. Basicity constants of the phosphonate (P=O(OEt)O^–) and amine groups in the PZE and in the conjugate base of the PZE, resp., were found to be “apparent” and as such follow the modified Henderson-Hasselbalch equation. In contrast to many polycarbobetaines and sulfobetaines, PZE was found to be soluble in salt-free water as well as salt (including Ca²⁺, Li⁺)-added solutions, and demonstrated “antipolyelectrolyte” solution behavior. The PZA, on the other hand, was found to be insoluble in salt-free water, and on treatment with NaOH gave dianionic polyelectrolyte (DAPE) containing trivalent nitrogen and [P=O(O)₂^2-] groups. For the first time, several new phase diagrams of polyethylene glycol-DAPE aqueous two-phase systems (ATPSs) have been constructed in the presence of varying proportions of HCl. The ATPSs may find application in affinity partitioning of metal ions because DAPE is expected to be an effective chelator. © 2012 Wiley Periodicals, Inc., J Polym Sci Part A: Polym Chem, 2012.

Journal of Polymer Science, Part A: Polymer Chemistry published new progress about 66197-72-6. 66197-72-6 belongs to bromides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyl (bromomethyl)phosphonate, and the molecular formula is C5H12BrO3P, COA of Formula: C5H12BrO3P.

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

Palais, Laetitia published the artcileCopper-Catalyzed Asymmetric Conjugate Addition with Chiral SimplePhos Ligands, Related Products of bromides-buliding-blocks, the publication is Chemistry – A European Journal (2009), 15(40), 10473-10485, S10473/1-S10473/113, database is CAplus and MEDLINE.

SimplePhos ligands, e.g., I [R = Ph, 3-(F₃C)C₆H₄, 3,5-Me₂C₆H₃], represent a novel class of monodentate chiral ligands based on a chiral amine moiety and flexible diaryl groups on the phosphorous atom. They were easily prepared by two different pathways and could be highly functionalized. Their application as ligands in the copper-catalyzed asym. conjugate addition of di-Et zinc and trialkylaluminum reagents to cyclic enones, acyclic enones and nitroalkenes was reported, and resulted in giving high enantioselectivity with up to 98.6% ee. In particular, the reaction of trialkylaluminum reagents with a wide range of 3-substituted enones allowed the formation of stereogenic quaternary carbon centers.

Chemistry – A European Journal published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Related Products of bromides-buliding-blocks.

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

Martins, Nayara Silva published the artcileDibromination of alkenes with LiBr and H₂O₂ under mild conditions, Formula: C6H12Br2, the publication is New Journal of Chemistry (2018), 42(1), 161-167, database is CAplus.

Electron-rich and electron-poor alkenes, and alkenes bearing protecting groups can be efficiently and stereoselectively converted to trans-dibromides using LiBr/H₂O₂ and AcOH as a proton source in 1,4-dioxane. For most substrates addition of 0.1 mol% of PhTeTePh enhances the reaction rate and the yield of the products. Exptl. data suggest that the brominating agent prepared in situ is mol. bromine and that LiBr assists the activation of H₂O₂ allowing bromination to occur using AcOH as a mild proton source in uncatalyzed experiments Scale-up is feasible: 10.0 mmol of 1-octene was quant. converted to 1,2-dibromooctene in one hour of reaction at room temperature

New Journal of Chemistry 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 C6H12Br2, Formula: C6H12Br2.

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

Palmer, Wylie S. published the artcileDevelopment of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): Kinase profiling guided optimization of a 1,2,3-benzotriazole lead, SDS of cas: 16523-02-7, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(5), 1486-1492, database is CAplus and MEDLINE.

A series of amino-pyrimidines was developed based upon an initial kinase cross-screening hit from a CDK2 program. Kinase profiling and structure-based drug design guided the optimization from the initial 1,2,3-benzotriazole hit to a potent and selective JNK inhibitor, compound 24f (JNK1 and 2 IC₅₀ = 16 and 66 nM, resp.), with bioavailability in rats and suitable for further in vivo pharmacol. evaluation.

Bioorganic & Medicinal Chemistry Letters published new progress about 16523-02-7. 16523-02-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Sulfone,Aliphatic hydrocarbon chain, name is 2-Bromoethyl Methyl Sulfone, and the molecular formula is C3H7BrO2S, SDS of cas: 16523-02-7.

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

Lutteke, Ginger published the artcileFormation of bicyclic pyrroles and furans through an enone allene photocycloaddition and fragmentation sequence, Name: (4-Bromobut-1-yn-1-yl)trimethylsilane, the publication is European Journal of Organic Chemistry (2008), 925-933, database is CAplus.

The [2 + 2] photocycloaddition of dimedone-substituted allenes was studied. Irradiation of a solution of these substrates in acetonitrile at 300 nm resulted in the clean conversion of the starting materials into a mixture of photoproducts. The major product in all cases was a bicyclic pyrrole or furan fused to an eight membered ring (43-70% yield). The formation of these products is thought to be a result of a heteroatom-induced fragmentation of the straight adduct. This is supported by irradiation of 3-(penta-3,4-dienyl)cyclohex-2-en-1-one which allowed the isolation of tricyclic adduct after catalytic hydrogenation in 27 %. The minor crossed photoproducts were isolated in 10-20% yield. The observed major/minor ratio of 4:1 was not affected by the variation of substituents on the cyclohexene ring. Introduction of a substituent on the allene had a more significant effect on the ratio which changed to 2:1.

European Journal of Organic Chemistry published new progress about 69361-41-7. 69361-41-7 belongs to bromides-buliding-blocks, auxiliary class PROTAC Linker,Aliphatic Linker, name is (4-Bromobut-1-yn-1-yl)trimethylsilane, and the molecular formula is C7H13BrSi, Name: (4-Bromobut-1-yn-1-yl)trimethylsilane.

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

Uner, Osman published the artcileMicellization and thermodynamics study of n-alkyl-4-methylpyridinium bromides in water and mixed water-ethanol media, HPLC of Formula: 143-15-7, the publication is Journal of Molecular Liquids (2022), 118765, database is CAplus.

The micellization behaviors of n-decyl-4-methylpyridinium bromide, n-dodecyl-4-methylpyridinium bromide, and n-tetradecyl-4-methylpyridinium bromide were studied in water and mixed water-ethanol media by using conductivity measurements over the temperature range of 293.15-318.15 K. The critical micelle concentrations (CMC) of all n-alkyl-4-Me pyridinium bromides studied increased with increasing temperature, but they decreased with increasing hydrocarbon chain length. Their CMC values of n-decyl-4-methylpyridinium bromide, n-dodecyl-4-methylpyridinium bromide, and n-tetradecyl-4-methylpyridinium bromide in water at the temperature range of 293.15-318.15 K were determined as in the range of 43.62-46.42, 10.45-11.57, and 2.78-3.20 mM, resp. Moreover, the lowest CMC values of n-decyl-4-methylpyridinium bromide, n-dodecyl-4-methylpyridinium bromide, and n-tetradecyl-4-methylpyridinium bromide were found with 15, 5, and 5 vol% ethanol additions, resp. The calculated neg. ΔG_m⁰ and ΔH_m⁰ values proved that their micellizations in water and mixed water-ethanol media were spontaneous and exothermic. Also, ΔG_m⁰ values became the more neg. with the longer the hydrocarbon chain length. Furthermore, their micellization processes in water were determined to be entropy controlled, however enthalpic contributions in the mixed water-ethanol systems started to predominate with increasing ethanol concentrations and/or temperature

Journal of Molecular Liquids published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C21H37BO, HPLC of Formula: 143-15-7.

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