Tag: M.W=250-300

Chao, Pengjie published the artcileA Benzo[1,2-b:4,5-c′]Dithiophene-4,8-Dione-Based Polymer Donor Achieving an Efficiency Over 16%, Recommanded Product: 2-Bromo-3-(2-ethylhexyl)thiophene, the publication is Advanced Materials (Weinheim, Germany) (2020), 32(10), 1907059, database is CAplus and MEDLINE.

It is of great significance to develop efficient donor polymers during the rapid development of acceptor materials for nonfullerene bulk-heterojunction (BHJ) polymer solar cells. Herein, a new donor polymer, named PBTT-F, based on a strongly electron-deficient core (5,7-dibromo-2,3-bis(2-ethylhexyl)benzo[1,2-b:4,5-c′]dithiophene-4,8-dione, TTDO), is developed through the design of cyclohexane-1,4-dione embedded into a thieno[3,4-b]thiophene (TT) unit. When blended with the acceptor Y6, the PBTT-F-based photovoltaic device exhibits an outstanding power conversion efficiency (PCE) of 16.1% with a very high fill factor (FF) of 77.1%. This polymer also shows high efficiency for a thick-film device, with a PCE of ≈14.2% being realized for an active layer thickness of 190 nm. In addition, the PBTT-F-based polymer solar cells also show good stability after storage for ≈700 h in a glove box, with a high PCE of ≈14.8%, which obviously shows that this kind of polymer is very promising for future com. applications. This work provides a unique strategy for the mol. synthesis of donor polymers, and these results demonstrate that PBTT-F is a very promising donor polymer for use in polymer solar cells, providing an alternative choice for a variety of fullerene-free acceptor materials for the research community.

Advanced Materials (Weinheim, Germany) 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, Recommanded Product: 2-Bromo-3-(2-ethylhexyl)thiophene.

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

Chen, Wu published the artcileSynthesis and fungicidal evaluation of novel 1,2,4-triazolo[1,5-a]pyrimidine containing oxadiazolyl derivatives, Category: bromides-buliding-blocks, the publication is Youji Huaxue (2005), 25(11), 1477-1481, database is CAplus.

Reaction of 2-[[[(hydrazino)carbonyl]methyl]thio]-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine with carbon disulfide in refluxing ethanol afforded 2-(5-mercapto-1,3,4-oxadiazol-2-ylmethylthio)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine, which was then treated with various benzyl halide derivatives in basic condition to yield 17 novel biheterocyclic derivatives The target compounds thus prepared were derivatives of 5,7-dimethyl-2-[[[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]methyl]thio][1,2,4]triazolo[1,5-a]pyrimidine. The structures of all compounds obtained were confirmed by elemental analyses, ¹H NMR and MS. Preliminary bioassay indicates that some compounds display antibacterial (sic) activity to certain extent. The target compounds thus prepared were evaluated for their activity against plant fungi, such as Gibberella zeae, Pellicularia filamentosa sasakii, Physalospora piricola, Whetzelinia sclerotiorum, etc.

Youji Huaxue 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

Oncu, Aysegul published the artcileSynthesis of methylthionaphthalene derivatives, Name: 1,3-Dibromonaphthalene, the publication is Turkish Journal of Chemistry (2006), 30(2), 235-241, database is CAplus.

A new and convenient method was developed for the synthesis of methylthio naphthalene derivatives from corresponding bromonaphthalenes by treatment with t-BuLi followed by di-Me disulfide. 2-(Methylthio)naphthalene, 1,3-bis(methylthio)naphthalene, 1,4-bis(methylthio)naphthalene, 1,5-bis(methylthio)naphthalene, and 1,3,5-tris(methylthio)naphthalene were obtained.

Turkish Journal of Chemistry published new progress about 52358-73-3. 52358-73-3 belongs to bromides-buliding-blocks, auxiliary class Bromide,Naphthalene, name is 1,3-Dibromonaphthalene, and the molecular formula is C10H6Br2, Name: 1,3-Dibromonaphthalene.

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

Satz, Alexander Lee published the artcileDNA Compatible Multistep Synthesis and Applications to DNA Encoded Libraries, Formula: C9H7BrF3NO2, the publication is Bioconjugate Chemistry (2015), 26(8), 1623-1632, database is CAplus and MEDLINE.

Complex mixtures of DNA encoded small mols. may be readily interrogated via high-throughput sequencing. These DNA encoded libraries (DELs) are commonly used to discover mols. that interact with pharmaceutically relevant proteins. The chem. diversity displayed by the library is key to successful discovery of potent, novel, and drug-like chem. matter. The small mol. moieties of DELs are generally synthesized though a multistep process, and each chem. step is accomplished while it is simultaneously attached to an encoding DNA oligomer. Hence, library chem. diversity is often limited to DNA compatible synthetic reactions. Herein, protocols for 24 reactions are provided that have been optimized for high-throughput production of DELs. These protocols detail the multistep synthesis of benzimidazoles, imidazolidinones, quinazolinones, isoindolinones, thiazoles, and imidazopyridines. Addnl., protocols are provided for a diverse range of useful chem. reactions including BOC deprotection (under pH neutral conditions), carbamylation, and Sonogashira coupling. Last, step-by-step protocols for synthesizing functionalized DELs from trichloronitropyrimidine and trichloropyrimidine scaffolds are detailed.

Bioconjugate Chemistry published new progress about 1260672-86-3. 1260672-86-3 belongs to bromides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is Methyl 2-(bromomethyl)-5-(trifluoromethyl)nicotinate, and the molecular formula is C9H7BrF3NO2, Formula: C9H7BrF3NO2.

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

Adane, Legesse published the artcileDesign and synthesis of guanylthiourea derivatives as potential inhibitors of Plasmodium falciparum dihydrofolate reductase enzyme, Application In Synthesis of 76283-09-5, the publication is Bioorganic & Medicinal Chemistry Letters (2014), 24(2), 613-617, database is CAplus and MEDLINE.

A new class of compounds, e.g. I [R = 3,4-(MeO)₂C₆H₃; 3-PhC₆H₄, 4-CF₃C₆H₄, etc.], based on S-benzylated guanylthiourea has been designed as potential Plasmodium falciparum dihydrofolate reductase inhibitors using computer aided methods (mol. electrostatic potential, mol. docking). Several compounds in this class have been synthesized starting from guanylthiourea and alkyl bromides. In vitro studies showed that two compounds from this class are active with the IC₅₀ value of 100 μM and 400 nM.

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, Application In Synthesis of 76283-09-5.

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

Scott, James S. published the artcileUse of Small-Molecule Crystal Structures To Address Solubility in a Novel Series of G Protein Coupled Receptor 119 Agonists: Optimization of a Lead and in Vivo Evaluation, HPLC of Formula: 76283-09-5, the publication is Journal of Medicinal Chemistry (2012), 55(11), 5361-5379, database is CAplus and MEDLINE.

G protein coupled receptor 119 (GPR119) is viewed as an attractive target for the treatment of type 2 diabetes and other elements of the metabolic syndrome. During a program toward discovering agonists of GPR119, we herein describe optimization of an initial lead compound, 2, into a development candidate, 42. A key challenge in this program of work was the insolubility of the lead compound Small-mol. crystallog. was utilized to understand the intermol. interactions in the solid state and resulted in a switch from an aryl sulfone to a 3-cyanopyridyl motif. The compound was shown to be effective in wild-type but not knockout animals, confirming that the biol. effects were due to GPR119 agonism.

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 C14H18BClO4, HPLC of Formula: 76283-09-5.

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

Thompson, Andrew M. published the artcileBiarylmethoxy 2-nitroimidazooxazine antituberculosis agents: Effects of proximal ring substitution and linker reversal on metabolism and efficacy, Product Details of C7H5Br2F, the publication is Bioorganic & Medicinal Chemistry Letters (2015), 25(18), 3804-3809, database is CAplus and MEDLINE.

Certain biaryl analogs of antitubercular drug PA-824 displayed enhanced in vivo efficacies yet retained some susceptibility towards oxidative metabolism; therefore, two new strategies were explored to address this. Ortho-substitution of the proximal aryl ring with larger electron-withdrawing substituents maintained or improved compound stability but reduced aerobic potency; however, fluoro and cyano were well tolerated. In vivo, only 2′- or 3′-fluoro mono-substitution preserved high efficacy against acute infection, although one example was twofold more effective than delamanid against chronic infection. Reversal of the 6-oxymethylene linkage also permitted high potency and improved stability towards human liver microsomes, albeit, in vivo results were inferior. These novel findings provide further insight into the preferred structural features for lead candidates in this important drug class.

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 C2H4ClNO, Product Details of C7H5Br2F.

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

Sosnowska, Anita published the artcilePredicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure-Property Relationship (QSPR) incorporating the influence of temperature on volatility, Application of 1,3-Dibromonaphthalene, the publication is Atmospheric Environment (2014), 10-18, database is CAplus.

Enthalpy of vaporization (ΔH_vap) is a thermodn. property associated with the dispersal of Persistent Organic Pollutants (POPs) in the environment. Common problem in the environmental risk assessment studies is the lack of exptl. measured ΔH_vap data. This problem can be solved by employing computational techniques, including QSPR (Quant. Structure-Property Relationship) modeling to predict properties of interest. Majority of the published QSPR models can be applied to predict the enthalpy of vaporization of compounds from only one, particular group of POPs (i.e., polychlorinated biphenyls, PCBs). We have developed a more general QSPR model to estimate the ΔH_vap values for 1436 polychlorinated and polybrominated benzenes, biphenyls, dibenzo-p-dioxins, dibenzofurans, di-Ph ethers, and naphthalenes. The QSPR model developed with Multiple Linear Regression anal. was characterized by satisfactory goodness-of-fit, robustness and the external predictive performance (R² = 0.888, Q²_CV = 0.878, Q²_Ext = 0.842, RMSE_C = 5.11, RMSE_CV = 5.34, RMSE_P = 5.74). Moreover, we quantified the temperature dependencies of vapor pressure for twelve groups of POPs based on the predictions at six different temperatures (logP_L(T)). In addition, we found a simple arithmetic relationship between the logarithmic values of vapor pressure in pairs of chloro- and bromo-analogs. By employing this relationship it is possible to estimate logP_L(T) for any brominated POP at any temperature utilizing only the logP_L(T) value for its chlorinated analogs.

Atmospheric Environment published new progress about 52358-73-3. 52358-73-3 belongs to bromides-buliding-blocks, auxiliary class Bromide,Naphthalene, name is 1,3-Dibromonaphthalene, and the molecular formula is C7H5ClN2S, Application of 1,3-Dibromonaphthalene.

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

Dolbois, Aymeric published the artcile1,4,9-Triazaspiro[5.5]undecan-2-one Derivatives as Potent and Selective METTL3 Inhibitors, Formula: C7H5Br2F, the publication is Journal of Medicinal Chemistry (2021), 64(17), 12738-12760, database is CAplus and MEDLINE.

N⁶-methyladenosine (m⁶A) is the most frequent of the 160 RNA modifications reported so far. Accumulating evidence suggests that the METTL3/METTL14 protein complex, part of the m⁶A regulation machinery, is a key player in a variety of diseases including several types of cancer, type 2 diabetes, and viral infections. Here we report on a protein crystallog.-based medicinal chem. optimization of a METTL3 hit compound that has resulted in a 1400-fold potency improvement (IC₅₀ of 5 nM for the lead compound 22 (UZH2)(I) in a time-resolved Forster resonance energy transfer (TR-FRET) assay). The series has favorable ADME properties as physicochem. characteristics were taken into account during hit optimization. UZH2 shows target engagement in cells and is able to reduce the m⁶A/A level of polyadenylated RNA in MOLM-13 (acute myeloid leukemia) and PC-3 (prostate cancer) cell lines.

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, Formula: C7H5Br2F.

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

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