Month: October 2022

Ogino, Yoshio; Ohtake, Norikazu; Nagae, Yoshikazu; Matsuda, Kenji; Moriya, Minoru; Suga, Takuya; Ishikawa, Makoto; Kanesaka, Maki; Mitobe, Yuko; Ito, Junko; Kanno, Tetsuya; Ishihara, Akane; Iwaasa, Hisashi; Ohe, Tomoyuki; Kanatani, Akio; Fukami, Takehiro published the artcile< Design, syntheses, and structure-activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole derivatives>, HPLC of Formula: 401567-00-8, the main research area is isobenzofuran piperidinyl benzimidazole preparation neuropeptide Y Y5 receptor antagonist; NPY Y Y5 receptor antagonist sar isobenzofuran piperidinyl benzimidazole.

Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists. By optimizing substituents on the benzimidazole core part of the lead compound I (R = H), a potent, orally available, and brain-penetrable Y5 selective antagonist I (R = CF3) was developed.

Bioorganic & Medicinal Chemistry Letters published new progress about Drug design. 401567-00-8 belongs to class imidazoles-derivatives, and the molecular formula is C8H4ClN3, HPLC of Formula: 401567-00-8.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Sakamoto, Takao; Kondo, Yoshinori; Suginome, Takashi; Ohba, Setsuya; Yamanaka, Hiroshi published the artcile< Palladium-catalyzed cross-coupling reaction of haloazoles with phenylsulfonylacetonitrile>, COA of Formula: C4H5BrN2, the main research area is palladium catalyzed cross coupling reaction haloazole; condensation haloazole phenylsulfonylacetonitrile; oxazoleacetonitrile phenylsulfonyl; thiazoleacetonitrile phenylsulfonyl; imidazoleacetonitrile phenylsulfonyl.

Condensation of halo-substituted 1,3-azoles (1,3-oxazoles, 1,3-thiazoles and imidazoles), e.g., I (R = Br), with phenylsulfonylacetonitrile under basic conditions was promoted by the catalytic action of tetrakis(triphenylphosphine)palladium(0) to give α-phenylsulfonyl-1,3-azoleacetonitriles, e.g., I (R = PhO2SCHCN). The adaptability of halogen atoms for the cross-coupling reaction was investigated. The reaction of 4-halo-1,2-azoles was also examined

Synthesis published new progress about Cross-coupling reaction. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, COA of Formula: C4H5BrN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wang, Xuan; Sun, Hui; Liu, Jiaxiang; Zhong, Wenge; Zhang, Mingqiang; Zhou, Hu; Dai, Dongcheng; Lu, Xiaojie published the artcile< Palladium-Promoted DNA-Compatible Heck Reaction>, Quality Control of 1003-21-0, the main research area is palladium promoted Heck reaction on DNA; DNA conjugated styrene acrylamide aryl iodide single strand DNA.

Optimal conditions for palladium-promoted Heck reaction on DNA were developed with good to excellent conversions. Versatility with either DNA-conjugated styrene/acrylamide or aryl iodide and a broad substrate scope of the corresponding coupling partners were established. Furthermore, robustness of the Heck reaction conditions on single-strand DNA and feasibility for DNA-encoded library production were demonstrated.

Organic Letters published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Quality Control of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Trzaska, Carole; Amand, Severine; Bailly, Christine; Leroy, Catherine; Marchand, Virginie; Duvernois-Berthet, Evelyne; Saliou, Jean-Michel; Benhabiles, Hana; Werkmeister, Elisabeth; Chassat, Thierry; Guilbert, Romain; Hannebique, David; Mouray, Anthony; Copin, Marie-Christine; Moreau, Pierre-Arthur; Adriaenssens, Eric; Kulozik, Andreas; Westhof, Eric; Tulasne, David; Motorin, Yuri; Rebuffat, Sylvie; Lejeune, Fabrice published the artcile< 2,6-Diaminopurine as a highly potent corrector of UGA nonsense mutations>, Recommanded Product: 7H-Purin-2-amine, the main research area is DAP UGA UAA nonsense mutation potent corrector cancer cell.

Nonsense mutations cause about 10% of genetic disease cases, and no treatments are available. Nonsense mutations can be corrected by mols. with nonsense mutation readthrough activity. An extract of the mushroom Lepista inversa has recently shown high-efficiency correction of UGA and UAA nonsense mutations. One active constituent of this extract is 2,6-diaminopurine (DAP). In Calu-6 cancer cells, in which TP53 gene has a UGA nonsense mutation, DAP treatment increases p53 level. It also decreases the growth of tumors arising from Calu-6 cells injected into immunodeficient nude mice. DAP acts by interfering with the activity of a tRNA-specific 2′-O-methyltransferase (FTSJ1) responsible for cytosine 34 modification in tRNATrp. Low-toxicity and high-efficiency UGA nonsense mutation correction make DAP a good candidate for the development of treatments for genetic diseases caused by nonsense mutations.

Nature Communications published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Recommanded Product: 7H-Purin-2-amine.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Figuera-Losada, Mariana; Stathis, Marigo; Dorskind, Joelle M.; Thomas, Ajit G.; Bandaru, Veera Venkata Ratnam; Yoo, Seung-Wan; Westwood, Nicholas J.; Rogers, Graeme W.; McArthur, Justin C.; Haughey, Norman J.; Slusher, Barbara S.; Rojas, Camilo published the artcile< Cambinol, a novel inhibitor of neutral sphingomyelinase 2 shows neuroprotective properties>, Application In Synthesis of 6823-69-4, the main research area is neurodegeneration cambinol sphingomyelinase 2 ceramide.

Ceramide is a bioactive lipid that plays an important role in stress responses leading to apoptosis, cell growth arrest and differentiation. Ceramide production is due in part to sphingomyelin hydrolysis by sphingomyelinases. In brain, neutral sphingomyelinase 2 (nSMase2) is expressed in neurons and increases in its activity and expression have been associated with pro-inflammatory conditions observed in Alzheimer’s disease, multiple sclerosis and human immunodeficiency virus (HIV-1) patients. Increased nSMase2 activity translates into higher ceramide levels and neuronal cell death, which can be prevented by chem. or genetic inhibition of nSMase2 activity or expression. However, to date, there are no soluble, specific and potent small mol. inhibitor tool compounds for in vivo studies or as a starting point for medicinal chem. optimization. Moreover, the majority of the known inhibitors were identified using bacterial, bovine or rat nSMase2. In an attempt to identify new inhibitor scaffolds, two activity assays were optimized as screening platform using the recombinant human enzyme. First, active hits were identified using a fluorescence-based high throughput compatible assay. Then, hits were confirmed using a 14C sphingomyelin-based direct activity assay. Pharmacol. active compounds and approved drugs were screened using this strategy which led to the identification of cambinol as a novel uncompetitive nSMase2 inhibitor (Ki = 7 μM). The inhibitory activity of cambinol for nSMase2 was approx. 10-fold more potent than for its previously known target, silence information regulator 1 and 2 (SIRT1/2). Cambinol decreased tumor necrosis factor-α or interleukin-1 β-induced increases of ceramide and cell death in primary neurons. A preliminary study of cambinol structure and activity allowed the identification of the main structural features required for nSMase2 inhibition. Cambinol and its analogs may be useful as nSMase2 inhibitor tool compounds to prevent ceramide-dependent neurodegeneration.

PLoS One published new progress about Alzheimer disease. 6823-69-4 belongs to class imidazoles-derivatives, and the molecular formula is C30H30Cl2N6O2, Application In Synthesis of 6823-69-4.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wang, Mo; Zhang, Zhenfeng; Xie, Fang; Zhang, Wanbin published the artcile< Cu-catalyzed amidation of halogenated imidazoles>, Reference of 1003-21-0, the main research area is imidazole halo amide cyclic copper amidation catalyst; amido imidazole preparation; amide cyclic heterocycle halo copper amidation catalyst; heterocycle amido preparation.

An efficient methodol. involving the Cu-catalyzed amidation of halogenated imidazoles has been successfully developed. The amidated product of 5-bromo-1-alkylimidazole was further applied to the synthesis of a new chiral imidazole nucleophilic catalyst for the kinetic resolution of secondary alcs.

Chemical Communications (Cambridge, United Kingdom) published new progress about Amidation. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Reference of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mergehenn, R.; Haase, W.; Allmann, R. published the artcile< Crystal structures of chloro- and γ-bromo-(2-dibutylaminoethanolato)copper(II)>, Related Products of 1003-21-0, the main research area is mol structure copper aminoethanolato halo; chloro copper aminoethanolato structure; bromo copper aminoethanolato structure.

Addnl. data considered in abstracting and indexing are available from a source cited in the original document. The crystal structures of halo-(2-dibutylaminoethanolato)copper(II) [(C10H22NOCuX)4, X = Cl (I), Br (II) were determined by single-crystal x-ray diffractometer methods using 4331 and 3915 independent reflections, resp., from 3-dimensional diffractometer data (Mo Ka radiation). The isomorphous compounds belong to space group P1̅ with a 15·563(10), b 16·280(11), c 11·659(8) Å, α 93·49(10), β 100·32(10), γ 112·51(10)° for I and a 15·539(10), b 16·452(11), c 11·766(8) Å, α 94·58(10), β 100·65(10), γ 111·67(10)° for II. The structures were refined by least-squares methods to final residuals of 0.084 and 0.071, resp. The tetrameric clusters of cubane-type mol. structures have mean Cu-Cu separations of 3·240(3) and 3·268(3) Å. The Cu coordination is distorted square pyramidal with Cu bonded to 3 O, 1N, and 1 halogen. The distance to the apical O is longer than to the other 2 O. The average bond lengths are Cu-O 1·9778) and 1·963(10) Å (short Cu-O separations), Cu-O 2·424(8) and 2·480(10) Å (long-Cu-O separations), Cu-N 2·054(11) and 2·066(13) Å, and Cu-hal 2·234(4) and 2·382(3) Å.

Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry published new progress about Crystal structure. 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Related Products of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

G-Dayanandan, Narendran; Scocchera, Eric W.; Keshipeddy, Santosh; Jones, Heather F.; Anderson, Amy C.; Wright, Dennis L. published the artcile< Direct Substitution of Arylalkynyl Carbinols Provides Access to Diverse Terminal Acetylene Building Blocks>, Electric Literature of 1003-21-0, the main research area is aryl propyne preparation reduction substitution arylalkynyl carbinol.

To develop next generation antifolates for the treatment of trimethoprim-resistant bacteria, synthetic methods were needed to prepare a diverse array of 3-aryl-propynes with various substitutions at the propargyl position. A direct route was sought whereby nucleophilic addition of acetylene to aryl carboxaldehydes would be followed by reduction or substitution of the resulting propargyl alc. The direct reduction, methylation, and dimethylation of these readily available alcs. provide efficient access to this uncommon functional array. In addition, an unusual silane exchange reaction was observed in the reduction of the propargylic alcs.

Organic Letters published new progress about Alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1003-21-0 belongs to class imidazoles-derivatives, and the molecular formula is C4H5BrN2, Electric Literature of 1003-21-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Salvitti, Chiara; Bortolami, Martina; Chiarotto, Isabella; Troiani, Anna; de Petris, Giulia published the artcile< The Knoevenagel condensation catalysed by ionic liquids: a mass spectrometric insight into the reaction mechanism>, HPLC of Formula: 700370-07-6, the main research area is anisaldehyde cyanoacetate methylimidazolium chloride Knoevenagel condensation mechanism.

The creation of carbon-carbon bonds is still a highly required topic in organic chem. for the capacity to give a wide variety of new products of industrial value. Accordingly, the Knoevenagel condensation between activated methylene compounds and aldehydes is one of the most known carbon coupling reactions. In this work, the catalytic activity of imidazolium-based ionic liquids (1-butyl-3-methylimidazolium acetate, 1-butyl-3-methylimidazolium chloride, 1-methyl-3-carboxymethylimidazolium chloride) was studied under solvent-free conditions and compared with that of sodium salts (sodium chloride, sodium acetate). Mass spectrometric techniques were used to monitor the formation of the reaction products and to detect the key intermediates of the process. Based on the catalyst employed different reaction mechanisms were highlighted, thus laying the foundation for the design of more specific and efficient catalysts.

New Journal of Chemistry published new progress about Electrospray ionization mass spectrometry. 700370-07-6 belongs to class imidazoles-derivatives, and the molecular formula is C6H9ClN2O2, HPLC of Formula: 700370-07-6.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Klein, Hannah L.; Ang, Kenny K. H.; Arkin, Michelle R.; Beckwitt, Emily C.; Chang, Yi-Hsuan; Fan, Jun; Kwon, Youngho; Morten, Michael J.; Mukherjee, Sucheta; Pambos, Oliver J.; el Sayyed, Hafez; Thrall, Elizabeth S.; Vieira-da-Rocha, Joao P.; Wang, Quan; Wang, Shuang; Yeh, Hsin-Yi; Biteen, Julie S.; Chi, Peter; Heyer, Wolf-Dietrich; Kapanidis, Achillefs N.; Loparo, Joseph J.; Strick, Terence R.; Sung, Patrick; Van Houten, Bennett; Niu, Hengyao; Rothenberg, Eli published the artcile< Guidelines for DNA recombination and repair studies: mechanistic assays of DNA repair processes>, Category: imidazoles-derivatives, the main research area is aminopurine DNA recombination repair mutagenesis review; DNA breaks; DNA helicases; DNA repair centers; DNA repair synthesis; DNA resection; DSBs; FRET; PALM; chromatin dynamics; chromosome rearrangements; crossovers; double strand break repair; endonuclease protection assay; fluorescent proteins; genome instability; gross chromosome rearrangements; homologous recombination; mismatch repair; nonhomologous end joining; nucleotide excision repair; photoactivated fluorescent proteins; recombinase filament assembly; single-molecule; single-particle tracking; structure-selective endonucleases; super resolution; synthesis-dependent strand annealing; transcription coupled repair.

A review. Genomes are constantly in flux, undergoing changes due to recombination, repair and mutagenesis. In vivo, many of such changes are studies using reporters for specific types of changes, or through cytol. studies that detect changes at the single-cell level. Single mol. assays, which are reviewed here, can detect transient intermediates and dynamics of events. Biochem. assays allow detailed investigation of the DNA and protein activities of each step in a repair, recombination or mutagenesis event. Each type of assay is a powerful tool but each comes with its particular advantages and limitations. Here the most commonly used assays are reviewed, discussed, and presented as the guidelines for future studies.

Microbial Cell published new progress about DNA repair. 452-06-2 belongs to class imidazoles-derivatives, and the molecular formula is C5H5N5, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem