Month: November 2022

Cheng, Yi-Nan published the artcileSynthesis of 1,2,4-triazole benzoyl arylamine derivatives and their high antifungal activities, COA of Formula: C7H6N2, the main research area is triazolyl benzoyl arylamine preparation agrochem antifungal activity; 1, 2, 4-triazobenzamide derivatives; Antifungal activity; Gaeumannomyces graminis var. tritici; Synthesis.

Two series of novel 1,2,4-triazole benzoyl arylamine derivatives I [R = H, Cl, CN, OMe, etc.; R1 = Cl, C(O)OH, C(O)OCH2CH3, C(O)OC6H5, etc.; R2 = H, F, CF3, C(O)OCH3, etc.] were prepared and screened for their activities against three pathogens of Gaeumannomyces graminis var.tritici, Sclerotinia sclerotiorum and Fusarium graminearum using the mycelium growth inhibition method in vitro. The results indicated that most of the synthesized derivatives displayed antifungal activities. Compounds I [R = R2 = H, R1 = C(O)OCH2CH3; R = R2 = H, R1 = C(O)OC(CH3)3; R = R2 = H, R1 = C(O)OC(CH3)2CH2CH3; R = R2 = H, R1 = C(O)OC(CH3)2 (A)] exhibited lower EC50s against all the three pathogens. Among of them, the compound (A) displayed the most potent antifungal activities with EC50 values of 0.01, 0.19 and 0.12μg mL-1 resp. The structure and activity relationship showed that election-withdrawing group at para-position of aniline was favorable for high activities, and the preferred groups were alkoxy carbonyls. These results proposed that the compound (A) can be a lead compound for development of novel fungicide.

European Journal of Medicinal Chemistry published new progress about Agrochemical fungicides. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, COA of Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dolensky, Bohumil published the artcileMethodology of deconvolution of total solute retention on chemically modified stationary phases to structure specific contributions of bound compounds, Application of Phthalonitrile, the main research area is methodol deconvolution retention modified stationary phase structure bound compound; binding constant; bound receptor; retention factor; retention mechanism; tweezer effect; weak affinity chromatography.

The total solute retention by a chem. modified stationary phase (CMSP) has been shown several times to be a potential tool for studying the binding abilities of the bound compound In this article, we present a methodol. for the deconvolution of the total retention into structure-specific contributions. Three complementary silica-based CMSPs were prepared: (1) non-modified silica,(2) silica modified by syn-bis-Troger’s base (a mol. tweezer) and (3) silica modified by anti-bis-Troger’s base (a non-tweezer mol.). These were characterized by elemental anal. and Raman spectroscopy, and used to assemble liquid chromatog. (LC) columns. The total retention factors were estimated for electron-deficient nitro- and cyano-derivatives of benzene in both normal and reverse elution modes. The total retention factor was considered to be the sum of structure-specific retention factors, each related to the affinity (the binding constant) of a specific structure (the binding site), and its content in the modified silica, as defined for weak-affinity chromatog. (WAC). The obtained structure-specific contributions are in line with the binding studies of ligands in solution They reveal details of the retention mechanism, suggesting a more suitable attachment of ligands, and expose the shortcomings of evaluations based solely on the total retentions.

Journal of Chromatography A published new progress about Affinity chromatography. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Application of Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ye, Jiqing published the artcileDiscovery of Antibacterials That Inhibit Bacterial RNA Polymerase Interactions with Sigma Factors, Quality Control of 1885-29-6, the main research area is antibacterial RNA polymerase sigma factor interaction inhibition.

Formation of a bacterial RNA polymerase (RNAP) holoenzyme by a catalytic core RNAP and a sigma (σ) initiation factor is essential for bacterial viability. As the primary binding site for the housekeeping σ factors, the RNAP clamp helix domain represents an attractive target for novel antimicrobial agent discovery. Previously, we designed a pharmacophore model based on the essential amino acids of the clamp helix, such as R278, R281, and I291 (Escherichia coli numbering), and identified hit compounds with antimicrobial activity that interfered with the core-σ interactions. In this work, we rationally designed and synthesized a class of triaryl derivatives of one hit compound and succeeded in drastically improving the antimicrobial activity against Streptococcus pneumoniae, with the min. inhibitory concentration reduced from 256 to 1μg/mL. Addnl. characterization of antimicrobial activity, inhibition of transcription, in vitro pharmacol. properties, and cytotoxicity of the optimized compounds demonstrated their potential for further development.

Journal of Medicinal Chemistry published new progress about Acinetobacter baumannii. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Donslund, Aske S. published the artcileAccess to β-Ketonitriles through Nickel-Catalyzed Carbonylative Coupling of α-Bromonitriles with Alkylzinc Reagents, SDS of cas: 100-70-9, the main research area is keto nitrile preparation; nickel catalyst carbonylative coupling bromonitrile alkylzinc bromide; alkylzinc reagents; beta-ketonitriles; carbonylation; isotope labeling; nickel catalysis.

In the presence of an N-quinolinylglycine nickel complex, α-bromonitriles such as PhCH2CH2CHBrCN and alkylzinc bromides such as n-propylzinc bromide underwent carbonylative coupling with near stoichiometric carbon monoxide in a two-chamber reactor to yield β-keto nitriles such as PhCH2CH2CH(CN)COn-Pr. The method was used to prepare 13C-labeled β-keto nitriles and heterocycles derived from them using a 13C-labeled carbon monoxide source.

Chemistry – A European Journal published new progress about Carbonylation (coupling). 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, SDS of cas: 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Dong, Yanan published the artcileReductive cyanation of organic chlorides using CO2 and NH3 via Triphos-Ni(I) species, HPLC of Formula: 1885-29-6, the main research area is nitrile preparation; chloride organic reductive cyanation.

The reductive cyanation of organic chlorides RCl (R = C6H5, naphthalen-1-yl, cyclohexyl, etc.) using CO2/NH3 as the electrophilic CN source has been described. The use of tridentate phosphine ligand Triphos allows for the nickel-catalyzed cyanation of a broad array of aryl and aliphatic chlorides to produce the desired nitrile products RCN in good yields, and with excellent functional group tolerance. Cheap and bench-stable urea was also shown as suitable CN source, suggesting promising application potential. Mechanistic studies imply that Triphos-Ni(I) species are responsible for the reductive C-C coupling approach involving isocyanate intermediates. This method expands the application potential of reductive cyanation in the synthesis of functionalized nitrile compounds under cyanide-free conditions, which is valuable for safe synthesis of (isotope-labeled) drugs.

Nature Communications published new progress about Antiproliferative agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, HPLC of Formula: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Krasavin, Mikhail published the artcileDiscovery and SAR exploration of N-aryl-N-(3-aryl-1,2,4-oxadiazol-5-yl)amines as potential therapeutic agents for prostate cancer, Application of 2,3-Dimethoxybenzonitrile, the main research area is structure activity relationship N aryl oxadiazol amine derivative antiproliferative; prostate carcinoma.

A new chem. series of antiproliferative compounds was identified via high-throughput screening on DU-145 human prostate carcinoma cell line (hit compound potency – 5.7 μM). Exploration of the two peripheral diversity vectors of the hit mol. in a hit-targeted library and testing of the resulting compounds led to SAR generalizations and identification of the ‘best’ pharmacophoric moieties. The latter were merged in a single compound that exhibited a 200-fold better potency than the original hit compound Specific cancer cell cytotoxicity was confirmed for the most potent compounds

Chemistry Central Journal published new progress about Antiproliferative agents. 5653-62-3 belongs to class nitriles-buliding-blocks, name is 2,3-Dimethoxybenzonitrile, and the molecular formula is C9H9NO2, Application of 2,3-Dimethoxybenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Wu, Bin published the artcileDesign, synthesis, and biological evaluation of cyano-substituted 2,4-diarylaminopyrimidines as potent JAK3 inhibitors for the treatment of B-cell lymphoma, Category: nitriles-buliding-blocks, the main research area is anilinopyrimidinylaminobenzonitrile preparation JAK3 inhibition antiproliferative SAR docking cytotoxicity pharmacokinetic; 2,4-Diarylaminopyrimidines; B-cell lymphoma; JAK3 inhibitors.

A series of cyano-substituted 2,4-diarylaminopyrimidines I [X = F, Cl, CF3; R1 = 4-ethylpiperazin-1-yl, 2-ethyl-5-methyl-imidazol-1-ylmethyl; R2 = 2-CN, 3-CN, 4-CN] were designed and synthesized as potent non-covalent JAK3 inhibitors. Among the derivatives synthesized, I [X = Cl; R1 = 4-ethylpiperazin-1-yl, 2-morpholinoacetylamino; R2 = 2-CN, 3-CN, 4-CN] (IC50 = 22.86 nM), (IC50 = 21.58 nM), and (IC50 = 20.66 nM) demonstrated inhibitory potencies against JAK3 similar to the known JAK3 inhibitor tofacitinib (IC50 = 20.10 nM). Moreover, comp. I [X = Cl; R1 = 4-ethylpiperazin-1-yl; R2 = 4-CN] displayed potent anti-proliferative activities against Raji and Ramos cells, with IC50 values of 0.9255 μM and 1.405 μM,resp. In addition, comp. I [X = Cl; R1 = 4-ethylpiperazin-1-yl; R2 = 4-CN] demonstrated low toxicity in normal HBE (human bronchial epithelial cells, IC50 > 10 μΜ) and L-02 (human liver cells, IC50 = 3.104 μΜ) cells. Anal. of the mode of action by flow cytometry indicated that comp. I [X = Cl; R1 = 4-ethylpiperazin-1-yl; R2 = 4-CN] effectively arrested Raji cells at the G2/M phase. Taken together, these results suggested that comp. I [X = Cl; R1 = 4-ethylpiperazin-1-yl; R2 = 4-CN] was a promising candidate for development as a potential treatment for B-cell lymphoma.

Bioorganic Chemistry published new progress about Antiproliferative agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Romagnoli, Romeo published the artcileDesign, synthesis and biological evaluation of 2-alkoxycarbonyl-3-anilinoindoles as a new class of potent inhibitors of tubulin polymerization, Synthetic Route of 1885-29-6, the main research area is alkoxycarbonyl anilinoindole preparation docking tubulin polymerization SAR antiproliferative human; Antiproliferative activity; Indole; Microtubules; Structure-activity relationship; Tubulin.

A new class of inhibitors of tubulin polymerization based on 2-alkoxycarbonyl-3-(3′,4′,5′-trimethoxyanilino)indole mol. skeleton I [R1 = H, 6-Cl, 5-MeO, etc.; R2 = Me, Et, iso-Pr, etc.; R3 = Me, Et, n-Pr, Bn; X = H, MeO] was synthesized and evaluated for antiproliferative activity, inhibition of tubulin polymerization and cell cycle effects. The results presented show that methoxy substitution and location on indole nucleus played an important role in inhibition of cell growth, and the most favorable position for substituent was at C-6. In addition, a small-size ester function (methoxy/ethoxycarbonyl) at 2-position of the indole core was desirable. Also, analogs that were alkylated with Me, Et or Pr groups or had a benzyl moiety on the N-1 indolic nitrogen retained activity equivalent to those observed in the parent N-1H analogs. The most promising compounds of series I [R1 = 5-MeO, R2 = Me, R3 = H, X = H; R1 = 6-MeO, R2 = R3 = Me, X = MeO] targeted tubulin at colchicine site with antitubulin activities comparable to that of reference compound combretastatin A-4.

Bioorganic Chemistry published new progress about Antiproliferative agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Synthetic Route of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Bachollet, Sylvestre P. J. T. published the artcileSynthetic Sphingolipids with 1,2-Pyridazine Appendages Improve Antiproliferative Activity in Human Cancer Cell Lines, Synthetic Route of 100-70-9, the main research area is sphingolipid pyridazine derivative preparation cancer.

A synthetic sphingolipid related to a ring-constrained hydroxymethyl pyrrolidine analog of FTY720 that was known to starve cancer cells to death was chem. modified to include a series of alkoxy-tethered 3,6-substituted 1,2-pyridazines. These derivatives exhibited excellent antiproliferative activity against eight human cancer cell lines from four different cancer types. A 2.5- to 9-fold reduction in IC50 in these cell lines was observed relative to the lead compound, which lacked the appended heterocycle.

ACS Medicinal Chemistry Letters published new progress about Antiproliferative agents. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Synthetic Route of 100-70-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Chen, Xin published the artcileDesign, Synthesis and Biological Evaluation of 1-methyl-1H-pyrazole-5-Carboxamide Derivatives as Novel Anti-Prostate Cancer Agents, Quality Control of 1885-29-6, the main research area is human prostate cancer anticancer PSA antigen; Androgen receptor; antiproliferative activity; prostate cancer; prostate-specific antigen; pyrazole derivatives; structural modification..

The Androgen Receptor (AR) signaling functionis a critical driving force for the progression of Prostate Cancer (PCa) to bring about anti-prostate cancer agents, and AR has been proved to be an effective therapeutic target even for Castration-Resistant Prostate Cancer (CRPC). In order to discover novel anti-prostate cancer agents, we performed structural modifications based on the lead compounds T3 and 10e. A set of 1-methyl- 1H-pyrazole-5-carboxamide derivatives were synthesized and evaluated for their inhibitory activities against both expressions of Prostate-Specific Antigen (PSA) and growth of PCa cell lines. Compound H24 was found to be able to completely block PSA expression at 10μM, and showed prominent antiproliferative activity in both the LNCaP cell line (GI50 = 7.73μM) and PC-3 cell line (GI50 = 7.07μM). These preliminary data supported a further evaluation of compound H24 as a potential agent to treat prostate cancer.

Anti-Cancer Agents in Medicinal Chemistry published new progress about Antiproliferative agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Quality Control of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts