Tag: M.W=100-150

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

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

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

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

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

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

Zheng, Jianbin published the artcileConversion of Quinazoline Modulators from Inhibitors to Activators of β-Glucocerebrosidase, SDS of cas: 1885-29-6, the main research area is quinazoline derivatives beta glucocerebrosidase inhibitor activator Parkinsons disease dementia.

Gaucher’s disease is a lysosomal disease caused by mutations in the β-glucocerebrosidase gene (GBA1 and GCase) that have been also linked to increased risk of Parkinson’s disease (PD) and Diffuse Lewy body dementia. Prior studies have suggested that mutant GCase protein undergoes misfolding and degradation, and therefore, stabilization of the mutant protein represents an important therapeutic strategy in synucleinopathies. In this work, we present a structure-activity relationship (SAR) study of quinazoline compounds that serve as inhibitors of GCase. Unexpectedly, we found that N-methylation of these inhibitors transformed them into GCase activators. A systematic SAR study further revealed that replacement of the key oxygen atom in the linker of the quinazoline derivative also contributed to the activity switch. PD patient-derived fibroblasts and dopaminergic midbrain neurons were treated with a selected compound (9q) that partially stabilized GCase and improved its activity. These results highlight a novel strategy for therapeutic development of noninhibitory GCase modulators in PD and related synucleinopathies.

Journal of Medicinal Chemistry published new progress about Antiparkinsonian agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, SDS of cas: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Chanmungkalakul, Supphachok published the artcileA Descriptor for Accurate Predictions of Host Molecules Enabling Ultralong Room-Temperature Phosphorescence in Guest Emitters, Recommanded Product: Phthalonitrile, the main research area is guest emitter host mol room temperature phosphorescence; Afterglow Emission; Charge-Transfer State; Excited States; Intersystem Crossing; Room-Temperature Phosphorescence.

Although doping can induce room-temperature phosphorescence (RTP) in heavy-atom free organic systems, it is often challenging to match the host and guest components to achieve efficient intersystem crossing for activating RTP. In this work, we developed a simple descriptor ΔE to predict host mols. for matching the guest RTP emitters, based on the intersystem crossing via higher excited states (ISCHES) mechanism. This descriptor successfully predicted five com. available host components to pair with naphthalimide (NA) and naphtho[2,3-c]furan-1,3-dione (2,3-NA) emitters with a high accuracy of 83%. The yielded pairs exhibited bright yellow and green RTP with the quantum efficiency up to 0.4 and lifetime up to 1.67 s, resp. Using these RTP pairs, we successfully achieved multi-layer message encryption. The ΔE descriptor could provide an efficient way for developing doping-induced RTP materials.

Angewandte Chemie, International Edition published new progress about Energy level excitation. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Recommanded Product: Phthalonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Shigang published the artcileRestricting structural relaxation of a phosphorescent copper emitter via polymer framework: Characterization and performance, Formula: C6H4N2, the main research area is crystal structure copper iodophenylpyridinyloxadiazole phosphine; copper pyridyloxadiazole preparation.

A diamine ligand having an electron-withdrawing oxadiazole in its mol. structure was designed. With the help from an auxiliary ligand, PPh3, its Cu(I) complex was synthesized and analyzed, including single crystal structure, electronic transitions and photophys. features. A distorted tetrahedral coordination field was adopted by this Cu(I) complex which experienced intense geometric distortion. To limit this excited state geometric distortion and consequently improve its emissive performance, this Cu(I) complex was dispersed and immobilized into a polymer rigid framework through electrospinning method. A detailed anal. on the photophys. parameters of solid sample, solution sample and electrospinning fibrous samples suggested that polymer immobilization was highly effective in limiting excited state geometric distortion. Dopant mols. were dispersed and immobilized in polymer’s rigid and protective microenvironment. In this case, their geometric distortion was effectively limited, showing improved photophys. performance, such as emission blue shift, long-lived emissive center and better photostability.

Journal of Molecular Structure published new progress about Charge transfer transition. 100-70-9 belongs to class nitriles-buliding-blocks, name is Picolinonitrile, and the molecular formula is C6H4N2, Formula: C6H4N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Feng, Guang-Shou published the artcileIridium-catalyzed asymmetric hydrogenation of quinazolinones, Category: nitriles-buliding-blocks, the main research area is dihydroquinazolinone preparation enantioselective; quinazolinone asym hydrogenation iridium diphosphine complex catalyst.

Enantioselective hydrogenation of quinazolinones was successfully realized by employing a chiral iridium/diphosphine complex as catalyst, furnishing the chiral dihydroquinazolinones I [R = i-Pr, Ph, 4-ClC6H4, etc.] with excellent yield and up to 98% enantioselectivity. Asym. hydrogenation at the gram scale was also conducted smoothly without loss of reactivity and enantioselectivity. Using the above methodol. as the key step, the enantiopure bioactive Eg5 inhibitor and (-)-SDZ 267-489 could also be conveniently synthesized.

Organic Chemistry Frontiers published new progress about Enantioselective synthesis. 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