Tag: M.W=50-100

Shields, Samuel W. J. published the artcileiTrEnDi: In Situ Trimethylation Enhancement Using Diazomethane: Improved and Expanded Glycerophospholipid and Sphingolipid Analyses via a Microscale Autonomous Derivatization Platform, Related Products of isoquinoline, the main research area is trimethylation situ lipidomics automation derivatization diazomethane.

Trimethylation enhancement using diazomethane (TrEnDi) is a derivatization technique that significantly enhances the signal intensity of glycerophospholipid species in mass spectrometry (MS) and tandem mass spectrometry (MS/MS) analyses. Here, we describe a novel apparatus that is able to conduct in situ TrEnDi (iTrEnDi) by generating and immediately reacting small amounts of gaseous diazoalkane with analyte mols. iTrEnDi allows complete and rapid methylation of phosphatidylcholine (PC), phosphatidylethanolamine (PE), phosphatidic acid (PA), and sphingomyelin (SM) in a safe manner by removing any need for direct handling of dangerous diazoalkane solutions iTrEnDi-modified PC ([PCTr]+) and PE ([PETr]+) showed similar sensitivity enhancements and fragmentation patterns compared to our previously reported methodol. iTrEnDi yielded dimethylated PA ([PATr]), which exhibited dramatically improved chromatog. behavior and a 14-fold increase in liquid chromatog. MS (LCMS) sensitivity compared to unmodified PA. In comparison to in-solution-based TrEnDi, iTrEnDi demonstrated a modest decrease in sensitivity, likely due to analyte losses during handling. However, the enhanced safety benefits of iTrEnDi coupled with its ease of use and capacity for automation, as well as its accommodation of more-reactive diazoalkane species, vastly improve the accessibility and utility of this derivatization technique. Finally, as a proof of concept, iTrEnDi was used to produce diazoethane (DZE), a more-reactive diazoalkane than diazomethane. Reaction between DZE and PC yielded ethylated [PCTr]+, which fragmented via MS/MS to produce a high-intensity characteristic fragment ion, enabling a novel and highly sensitive precursor ion scan.

Analytical Chemistry (Washington, DC, United States) published new progress about Electrospray ionization mass spectrometry. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wu, Fan published the artcileRegioselective Formal [3+2] Cycloadditions of Urea Substrates with Activated and Unactivated Olefins for Intermolecular Olefin Aminooxygenation, HPLC of Formula: 598-50-5, the main research area is urea olefin iodide catalyst regioselective diastereoselective cycloaddition; aminooxazoline stereoselective preparation; alkenes; aminooxygenation; cycloaddition; homogeneous catalysis; oxazoline.

A new class of intermol. olefin aminooxygenation reaction is described. This reaction utilizes the classic halonium intermediate as a regio- and stereochem. template to accomplish the selective oxyamination of both activated and unactivated alkenes. Notably, urea chem. feedstock can be directly introduced as the N and O source and a simple iodide salt can be utilized as the catalyst. This formal [3+2] cycloaddition process provides a highly modular entry to a range of useful heterocyclic products, e.g., I, with excellent selectivity and functional-group tolerance.

Angewandte Chemie, International Edition published new progress about [3+2] Cycloaddition reaction catalysts. 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, HPLC of Formula: 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Brandolese, Arianna published the artcileEnantioselective N-Acylation of Biginelli Dihydropyrimidines by Oxidative NHC Catalysis, Formula: C2H6N2O, the main research area is acylated dihydropyrmiidine enantioselective synthesis acylation heterocyclic carbene catalysis; enantioselective acylation Biginelli dihydropyrimidine enal heterocyclic carbene catalysis.

The oxidative N-acylation reaction of 3,4-dihydropyrimidin-2-(1H)-ones (DHPMs) with enals and N-heterocyclic carbene (NHC) catalysts is described. The reaction proceeds in the presence of quinone oxidant without addnl. acyl transfer agents and in the asym. variant produces pharmaceutically relevant N3-acylated products with good-to-moderate enantioselectivity.

European Journal of Organic Chemistry published new progress about Acylation catalysts (enantioselective). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ribeiro, Carlos J. A. published the artcileTriazolopyrimidine and triazolopyridine scaffolds as TDP2 inhibitors, Name: 3,5-Diamino-1,2,4-triazole, the main research area is TDP2 inhibitors anticancer triazolo pyrimidines pyridines SAR; Anti-cancer; Triazolo-pyridines; Triazolo-pyrimidines; Tyrosyl-DNA phosphodiesterase 2 (TDP2).

Tyrosyl-DNA phosphodiesterase 2 (TDP2) repairs topoisomerase II (TOP2) mediated DNA damages and causes cellular resistance to clin. used TOP2 poisons. Inhibiting TDP2 can potentially sensitize cancer cells toward TOP2 poisons. Com. compound P10A10, to which the structure was assigned as 7-Ph triazolopyrimidine analog 6a, was previously identified as a TDP2 inhibitor hit in our virtual and fluorescence-based biochem. screening campaign. We report herein that the hit validation through resynthesis and structure elucidation revealed the correct structure of P10A10 (Chembridge ID 7236827) to be the 5-Ph triazolopyrimidine regioisomer 7a. Subsequent structure-activity relationship (SAR) via the synthesis of a total of 47 analogs of both the 5-Ph triazolopyrimidine scaffold (7) and its bioisosteric triazolopyridine scaffold (17) identified four derivatives (7a, 17a, 17e, and 17z) with significant TDP2 inhibition (IC50 < 50 μM), with 17z(I) showing excellent cell permeability and no cytotoxicity. Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents (sensitize cancer cells). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Name: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ribeiro, Carlos J. A. published the artcileTriazolopyrimidine and triazolopyridine scaffolds as TDP2 inhibitors, Product Details of C2H5N5, the main research area is TDP2 inhibitors anticancer triazolo pyrimidines pyridines SAR; Anti-cancer; Triazolo-pyridines; Triazolo-pyrimidines; Tyrosyl-DNA phosphodiesterase 2 (TDP2).

Tyrosyl-DNA phosphodiesterase 2 (TDP2) repairs topoisomerase II (TOP2) mediated DNA damages and causes cellular resistance to clin. used TOP2 poisons. Inhibiting TDP2 can potentially sensitize cancer cells toward TOP2 poisons. Com. compound P10A10, to which the structure was assigned as 7-Ph triazolopyrimidine analog 6a, was previously identified as a TDP2 inhibitor hit in our virtual and fluorescence-based biochem. screening campaign. We report herein that the hit validation through resynthesis and structure elucidation revealed the correct structure of P10A10 (Chembridge ID 7236827) to be the 5-Ph triazolopyrimidine regioisomer 7a. Subsequent structure-activity relationship (SAR) via the synthesis of a total of 47 analogs of both the 5-Ph triazolopyrimidine scaffold (7) and its bioisosteric triazolopyridine scaffold (17) identified four derivatives (7a, 17a, 17e, and 17z) with significant TDP2 inhibition (IC50 < 50 μM), with 17z(I) showing excellent cell permeability and no cytotoxicity. Bioorganic & Medicinal Chemistry Letters published new progress about Antitumor agents (sensitize cancer cells). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jankovic, Nenad published the artcileDiscovery of the Biginelli hybrids as novel caspase-9 activators in apoptotic machines: Lipophilicity, molecular docking study, influence on angiogenesis gene and miR-21 expression levels, COA of Formula: C2H6N2O, the main research area is Biginelli scaffold selectivity index apoptosis caspase 9 lipophilicity; Apoptosis; Biginelli scaffold; Caspase-9; Lipophilicity; Selectivity index.

In order to investigate potential therapeutically agents, novel products of Biginelli reaction (4a-l) were synthesized and exposed to cytotoxic and caspase activities, angiogenesis, cell cycle distribution, gene and microRNA expression levels, lipophilicity assessment and docking study. Among the twelve novel compounds (4a-l) evaluated for the cytotoxic activity, five of them (4c, 4d, 4f, 4k and 4l) that showed excellent activity on the tested cell lines (HeLa, LS174 and A549) were selected for further evaluation. Interestingly, compound 4f has up to three times higher selectivity index (SI) towards cancer cells than cisplatin (on HeLa, LS174 and A549 SI = 18.2, 13.5 and 11.2, resp.). The obtained results from cell cycle distribution and caspase activity indicate that tested compounds (4c, 4d, 4f, 4k and 4l) promoted caspase-9 activation, implicated in the intrinsic pathway of apoptosis. Lipophilicity of 4a-l was determinate by using reversed-phase high-performance liquid chromatog.

Bioorganic Chemistry published new progress about Angiogenesis (influence on angiogenesis gene). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, COA of Formula: C2H6N2O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Baranov, Vladimir V. published the artcileEfficient method for the synthesis of 1,3-unsubstituted 2-imino-5-oxooctahydroimidazo[4,5-d]imidazolium iodides based on thioglycolurils, Category: isoquinoline, the main research area is imino oxooctahydroimidazoimidazolium iodide preparation; isothiouronium salt preparation amine condensation; thioglycoluril methyl iodide methylation.

A facile and efficient two-step synthetic route to previously inaccessible 1,3-unsubstituted 2-imino-5-oxooctahydroimidazo[4,5-d]-imidazol-1-ium iodides, e.g., I (R = H, Me) has been developed using easily accessible thioglycolurils II (R1 = H, Me), MeI, and various primary amines, morpholine, or ethylene diamine. The structure of representative products and hydrogen-bonding pattern in their crystals have been investigated by X-ray diffraction.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Balachandar, Kannan Gajendran published the artcileNovel high performance energetic materials of fluorine-containing 2,6-dinitro-4-(trifluoromethyl)phenol derivatives with substituted azoles, Computed Properties of 1455-77-2, the main research area is energetic material fluorinated nitrofluoromethylphenol derivative azole synthesis.

Azoles such as tetrazole, triazole, pyrazole, and imidazole are considered to be core nitrogen rich structures. 2,6-Dinitro-4-(trifluoromethyl)phenol was treated with imidazole, 3-nitropyrazole, 1,2,4-triazole, 3-amino-1,2,4-triazole, 3,5-diamino-1,2,4-triazole, 5-aminotetrazole, and 5-nitrotriazolone to synthesize acid-base salts using a proton transfer mechanism. The spectroscopic characterization of the synthesized compounds 1-7 was carried out by IR, 1H NMR, 13C NMR, and 19F NMR spectroscopies. Single crystal X-ray diffraction studies of compounds 1 and 3 showed that they possess densities of 1.675 and 1.670 g/cm3, resp. The detonation properties of all the synthesized compounds were studied using computational software such as the LOTUSES, EXPLO 5, and EXTEC codes. The blast peak over pressure and blast impulse were determined for each compound The thermal characteristics of the synthesized compounds was analyzed using TGA/DSC thermogram, and each compound was found to exhibit acceptable thermal stability. The performance of the synthesized compounds were found to be high and fit into the category of high-energy-d. materials (HEDMs).

Journal of Fluorine Chemistry published new progress about Azoles Role: RCT (Reactant), RACT (Reactant or Reagent). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Balachandar, Kannan Gajendran published the artcileNovel high performance energetic materials of fluorine-containing 2,6-dinitro-4-(trifluoromethyl)phenol derivatives with substituted azoles, Product Details of C2H5N5, the main research area is energetic material fluorinated nitrofluoromethylphenol derivative azole synthesis.

Azoles such as tetrazole, triazole, pyrazole, and imidazole are considered to be core nitrogen rich structures. 2,6-Dinitro-4-(trifluoromethyl)phenol was treated with imidazole, 3-nitropyrazole, 1,2,4-triazole, 3-amino-1,2,4-triazole, 3,5-diamino-1,2,4-triazole, 5-aminotetrazole, and 5-nitrotriazolone to synthesize acid-base salts using a proton transfer mechanism. The spectroscopic characterization of the synthesized compounds 1-7 was carried out by IR, 1H NMR, 13C NMR, and 19F NMR spectroscopies. Single crystal X-ray diffraction studies of compounds 1 and 3 showed that they possess densities of 1.675 and 1.670 g/cm3, resp. The detonation properties of all the synthesized compounds were studied using computational software such as the LOTUSES, EXPLO 5, and EXTEC codes. The blast peak over pressure and blast impulse were determined for each compound The thermal characteristics of the synthesized compounds was analyzed using TGA/DSC thermogram, and each compound was found to exhibit acceptable thermal stability. The performance of the synthesized compounds were found to be high and fit into the category of high-energy-d. materials (HEDMs).

Journal of Fluorine Chemistry published new progress about Azoles Role: RCT (Reactant), RACT (Reactant or Reagent). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Fu, Lei-Han published the artcileAn ionic liquid-based green synthesis strategy: synthesis of dihydropyrimidinones by three-component Biginelli-type reaction of aliphatic aldehydes, aromatic aldehydes and urea, Quality Control of 598-50-5, the main research area is dihydropyrimidinone green preparation; aliphatic aldehyde aromatic urea three component ionic liquid catalyst.

An ionic liquid-based green synthesis of 3,4-dihydropyrimidin-2-(1H)-ones I [R1 = 4-NO2, 4-OMe, 4-Cl, etc.; R2 = nPr, iPr, n-Bu, etc.; R3 = Me, Et] via three-component Biginelli-type reaction of aliphatic aldehydes, aromatic aldehydes and urea was reported. The catalyst could be easily recycled and reused with similar efficacy for at least four cycles.

Heterocycles published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Quality Control of 598-50-5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem