Month: October 2022

Mo, Di-Wei; Dong, Shuai; Sun, Haiyan; Chen, Jia-Sheng; Pang, Jian-Xin; Xi, Bao-Min; Chen, Wen-Hua published the artcile< Synthesis and potent inhibitory activities of carboxybenzyl-substituted 8-(3-(R)-aminopiperidin-1-yl)-7-(2-chloro/cyanobenzyl)-3-methyl-3,7-dihydro-purine-2,6-diones as dipeptidyl peptidase IV (DPP-IV) inhibitors>, Quality Control of 85070-57-1, the main research area is dihydropurinedione derivative preparation dipeptidyl peptidase IV inhibitory activity; 3-Methyl-3,7-dihydro-purine-2,6-dione; Diabetes; Dipeptidyl peptidase IV inhibitor; Inhibitory activity; Synthesis.

Fourteen 3-methyl-3,7-dihydro-purine-2,6-dione derivatives bearing carboxybenzyl and 2-chloro/cyanobenzyl groups at the N-1 and N-7 positions, resp., were synthesized as dipeptidyl peptidase IV (DPP-IV) inhibitors. These compounds were characterized on the basis of NMR (1H and 13C) and ESI MS data. In vitro bioassay indicates that most of these compounds showed moderate to good inhibitory activities against DPP-IV. Among them, compound I (IC50 = 36 nM) exhibited comparable activity with a pos. control, Sitagliptin (IC50 = 16 nM). In addition, the structure-activity relationship of these compounds is also briefly discussed.

Bioorganic & Medicinal Chemistry Letters published new progress about Antidiabetic agents. 85070-57-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, Quality Control of 85070-57-1.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Thanikachalam, Venugopal; Jeeva, Palanivel; Jayabharathi, Jayaraman published the artcile< Highly efficient non-doped blue organic light emitting diodes based on a D-π-A chromophore with different donor moieties>, Synthetic Route of 3893-18-3, the main research area is organic light emitting diode chromophore.

Comparative photophys., electroluminance and theor. investigations have been made for 4′-(1-(4-morpholinophenyl)-1H-phenanthro[9,10-d]imidazole-2-yl)-styryl-2-(4′-9H-carbazole-9-yl) (MPPIS-Cz) and 4′-(1-(4-morpholinophenyl)-1H-phenanthro[9,10-d]imidazole-2-yl)-styryl-N,N-diphenyl-[1,1′-biphenyl]-4-amine (MPPIS-TPA). Based on tuning the donor ability, MPPIS-TPA and MPPIS-Cz were designed to have a hybridized local and charge transfer state (HLCT) and a hot exciton channel. This HLCT is responsible for high photoluminescence efficiency and the hot exciton contributes to high exciton utilization. The non-doped OLED based on MPPIS-Cz exhibits excellent performance: blue emission with CIE coordinates of (0.16, 0.08), maximum current efficiency of 1.52 cd A-1 and maximum external quantum efficiency of 1.42%. A fluorescent mol. with a HLCT state and hot exciton may be an ideal strategy to design next generation, high efficiency and low cost fluorescent OLED materials.

RSC Advances published new progress about Absorption spectra. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Synthetic Route of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pastushak, N. O.; Dombrovskii, A. V. published the artcile< Preparation of some unsaturated alkaryl aldehydes by reduction of nitriles of β-arylacrylic acids>, Synthetic Route of 3893-18-3, the main research area is .

Heating 8 g. appropriate nitrile of an arylacrylic acid with 50 ml. pyridine, 24 ml. AcOH, 20 g. NaH2PO2 and 3 g. Raney Ni in 25 ml. H2O at 50° 1.5 hrs. gave 55-67%: PhCH:CHCHO, b5 105°, n20D 1.6195, d20 1.050 (semicarbazone m. 208°); p-MeC6H4CH:CHCHO, m. 41°, b15 120° (semicarbazone m. 210°); p-MeOC6H4CH:CHCHO, m. 58°, b6 148° (semicarbazone m. 211°); p-ClC6H4CH:CHCHO, m. 62°, b2 115° (semicarbazone m. 231°); p-BrC6H4CH:CHCHO, m. 81°, b3 128° (semicarbazone m. 239°); PhCH:CMeCHO, b5 130°, 1.6010, 1.042 (semicarbazone m. 207°); and p-MeC6H4CH:CMeCHO, b5 118°, 1.6065, 1.040 (semicarbazone m. 220°).

Zhurnal Organicheskoi Khimii published new progress about Aldehydes. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Synthetic Route of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kim, Eunae; Park, Sehoon; Chang, Sukbok published the artcile< Silylative Reductive Amination of α,β-Unsaturated Aldehydes: A Convenient Synthetic Route to β-Silylated Secondary Amines>, Category: bromides-buliding-blocks, the main research area is silylated secondary amine preparation diastereoselective regioselective; silylative reductive amination unsaturated aldehyde diastereoselective regioselective; Lewis acidic borane; hydrosilylation; reductive amination; selectivity; α,β-unsaturated compounds.

Described here is a reductive amination/hydrosilylation cascade of α,β-unsaturated aldehydes mediated by a Lewis acidic borane catalyst. The present reaction system provides an one-pot synthetic route towards β-silylated secondary amines that have not been accessible by other previous catalysis. Comparative 1H NMR studies on the silylative reduction of enimines revealed that steric bulkiness of primary amine reactants strongly affects both catalytic efficiency and regioselectivity. This strategy was applicable to a broad range of substrates and amenable to one-pot gram-scale synthesis. Moreover, a diastereoselective introduction of the β-silyl group was also found to be feasible (d.r. up to 71:29).

Chemistry – A European Journal published new progress about Diastereoselective synthesis. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hynds, Hannah M.; Lemons, Holli E.; Willis, Jasmine D.; Bell, MarKayla J.; Bottcher, Sydney E.; Dye, Mei Lin N.; Echols, Emily T.; Garner, Edward L.; Hutchinson, Lauren E.; Phillips, Caleb M.; Stephens, Claudia P.; Gilbert, Thomas M.; Wilger, Dale J. published the artcile< Ni-Catalyzed Larock Indenone Annulation with Aliphatic- and Silyl-Substituted Alkynes Supported by Mechanistic Analysis>, Recommanded Product: Methyl 2-bromo-4-methoxybenzoate, the main research area is nickel catalyzed Larock annulation reaction ortho bromobenzoate alkyne; indenone derivative preparation.

A Ni-catalyzed annulation reaction to synthesize indenones is reported. The reaction provides high yields and regioselectivities when aliphatic- and silyl-substituted alkynes are employed. Both were challenging and underused substrate classes. Several mechanistic observations aided in the development of this reaction, including that β-hydride elimination is turnover-limiting for ortho-halogenated aldehyde substrates and that alkyne dissociation is rate-limiting for internal aliphatic alkynes. The authors anticipate that these methods will be rapidly adopted due to their synthetic ease and inherent versatility. The authors also anticipate that the mechanistic conclusions will inform further reaction development.

Organometallics published new progress about Alkynes Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, Recommanded Product: Methyl 2-bromo-4-methoxybenzoate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Gaisina, Irina N.; Peet, Norton P.; Wong, Letitia; Schafer, Adam M.; Cheng, Han; Anantpadma, Manu; Davey, Robert A.; Thatcher, Gregory R. J.; Rong, Lijun published the artcile< Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections>, Computed Properties of 128577-47-9, the main research area is aminomethyl benzamide derivative preparation Ebola Marburg virus infection.

The recent Ebola epidemics in West Africa underscore the great need for effective and practical therapies for future Ebola virus outbreaks. We have discovered a new series of remarkably potent small mol. inhibitors of Ebola virus entry. These 4-(aminomethyl)benzamide-based inhibitors are also effective against Marburg virus. Synthetic routes to these compounds allowed for the preparation of a wide variety of structures, including a conformationally restrained subset of indolines (compounds 41-50). Compounds 20, 23, 32, 33, and 35 are superior inhibitors of Ebola (Mayinga) and Marburg (Angola) infectious viruses. Representative compounds (20, 32, and 35) have shown good metabolic stability in plasma and liver microsomes (rat and human), and 32 did not inhibit CYP3A4 nor CYP2C9. These 4-(aminomethyl)benzamides are suitable for further optimization as inhibitors of filovirus entry, with the potential to be developed as therapeutic agents for the treatment and control of Ebola virus infections.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 128577-47-9 belongs to class bromides-buliding-blocks, and the molecular formula is C9H8BrFO2, Computed Properties of 128577-47-9.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Russ, Nadine; Schroeder, Martin; Berger, Benedict-Tilman; Mandel, Sebastian; Aydogan, Yagmur; Mauer, Sandy; Pohl, Christian; Drewry, David H.; Chaikuad, Apirat; Mueller, Susanne; Knapp, Stefan published the artcile< Design and Development of a Chemical Probe for Pseudokinase Ca2+/calmodulin-Dependent Ser/Thr Kinase>, Reference of 3959-07-7, the main research area is calcium calmodulin dependent Ser Thr kinase chem probe; design synthesis diaminopyrimidine carboxamide CASK inhibitor structure property relationship.

CASK (Ca2+/calmodulin-dependent Ser/Thr kinase) is a member of the MAGUK (membrane-associated guanylate kinase) family that functions as neurexin kinases with roles implicated in neuronal synapses and trafficking. The lack of a canonical DFG motif, which is altered to GFG in CASK, led to the classification as a pseudokinase. However, functional studies revealed that CASK can still phosphorylate substrates in the absence of divalent metals. CASK dysfunction has been linked to many diseases, including colorectal cancer, Parkinson’s disease, and X-linked mental retardation, suggesting CASK as a potential drug target. Here, we exploited structure-based design for the development of highly potent and selective CASK inhibitors based on 2,4-diaminopyrimidine-5-carboxamides targeting an unusual pocket created by the GFG motif. The presented inhibitor design offers a more general strategy for the development of pseudokinase ligands that harbor unusual sequence motifs. It also provides a first chem. probe for studying the biol. roles of CASK.

Journal of Medicinal Chemistry published new progress about Amides Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Tohnishi, Masanori; Nakao, Hayami; Furuya, Takashi; Seo, Akira; Kodama, Hiroki; Tsubata, Kenji; Fujioka, Shinsuke; Kodama, Hiroshi; Hirooka, Takashi; Nishimatsu, Tetsuyoshi published the artcile< Flubendiamide, a novel insecticide highly active against lepidopterous insect pests>, Reference of 82-73-5, the main research area is flubendiamide preparation insecticide lepidoptericide; heptafluoroisopropylanilide preparation insecticide lepidoptericide; benzenedicarboxamide derivative preparation insecticide lepidoptericide structure activity relationship.

Flubendiamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide I, is a representative of a novel class of insecticides having a unique chem. structure. The uniqueness of the structure resulted from three parts with novel substituents: a heptafluoroisopropyl group in the anilide moiety, a sulfonylalkyl group in the aliphatic amide moiety, and an iodine atom at the 3-position of the phthalic acid moiety. The compound showed extremely strong insecticidal activity especially against lepidopterous pests including resistant strains. Flubendiamide would have a novel mode of action, because the insecticidal symptoms accompanied by a discriminative contraction of the larval body are distinguished from those of com. insecticides. It was also very safe for non-target organisms. Flubendiamide is expected to be a suitable agent for controlling lepidopterous insects as part of the insect resistance management and the integrated pest management programs.

Journal of Pesticide Science (Tokyo, Japan) published new progress about Adoxophyes honmai. 82-73-5 belongs to class bromides-buliding-blocks, and the molecular formula is C8H3BrO3, Reference of 82-73-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shi, Jing Bo; Chen, Liu Zeng; Wang, Bao Shi; Huang, Xin; Jiao, Ming Ming; Liu, Ming Ming; Tang, Wen Jian; Liu, Xin Hua published the artcile< Novel Pyrazolo[4,3-d]pyrimidine as Potent and Orally Active Inducible Nitric Oxide Synthase (iNOS) Dimerization Inhibitor with Efficacy in Rheumatoid Arthritis Mouse Model>, COA of Formula: C7H8BrN, the main research area is pyrazolopyrimidine preparation inducible nitric oxide synthase dimerization inhibitor; antiflammatory activity SAR pyrazolopyrimidine rheumatoid arthritis mouse model.

In order to discover novel anti-inflammatory agents for treatment of arthritis and based on preliminary structure-activity relationships, four series (A-D) of total 90 new pyrazolo[4,3-d]pyrimidine compounds were designed and synthesized. All the compounds have been tested for their anti-inflammatory activities by inhibiting of LPS-induced NO production A clear structure-activity relationship has been concluded step by step, and finally 3,4,5-trimethoxystyryl-1H-pyrazolo[4,3-d]pyrimidine was found to be the most active scaffold. Among them, compound I was discovered as the most potent anti-inflammatory agent (IC50 = 3.17 μM) with low toxicity and strong inhibitory of NO release (IR = 90.4% at 10 μM). This compound also showed potent inhibition of iNOS with IC50 value of 1.12 μM. Preliminary mechanism studies indicated that it could interfere with the stability and formation of active dimeric iNOS. The anti-inflammatory effect of this compound was determined by adjuvant-induced arthritis in rat model. We believe these findings would further support the study of rational design of more efficient iNOS inhibitors in the future.

Journal of Medicinal Chemistry published new progress about Anti-inflammatory agents. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, COA of Formula: C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cheng, Xiaokai; Lu, Huangzhe; Lu, Zhan published the artcile< Enantioselective benzylic C-H arylation via photoredox and nickel dual catalysis>, Safety of 3-Bromobenzotrifluoride, the main research area is diaryl alkane enantioselective preparation; alkyl benzene aryl bromide benzylic arylation photoredox catalysis nickel.

Here, an enantioselective benzylic C(sp3)-H bond arylation via photoredox/nickel dual catalysis was reported. Sterically hindered chiral biimidazoline ligands were designed for this asym. cross-coupling reaction. Readily available alkyl benzenes and aryl bromides with various functional groups tolerance could be easily and directly transferred to useful chiral 1,1-diaryl alkanes I [R = Me, Et, Bn, etc.; Ar1 = Ph, 4-MeOC6H4, 4-FC6H4, 4-iBuC6H4, 2-naphthyl; Ar2 = 4-FC6H4, 3-CNC6H4, benzofuran-5-yl, etc.] including pharmaceutical intermediates and bioactive mols. This reaction proceeded smoothly under mild conditions without the use of external redox reagents.

Nature Communications published new progress about Alkanes Role: SPN (Synthetic Preparation), PREP (Preparation) (1,1-diaryl alkanes). 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Safety of 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary