Month: November 2022

Ye, Chengfeng published the artcileEnergetic salts of azotetrazolate, iminobis(5-tetrazolate) and 5,5′-bis(tetrazolate), COA of Formula: C3H7IN4, the main research area is azotetrazolate iminobistetrazolate bistetrazolate energetic salt; imidazolium triazolium azotetrazolate energetic salt.

Energetic ionic salts of azotetrazolate (AT), iminobis(5-tetrazolate) (IBT) and 5, 5′-bis(tetrazole) (BT) were synthesized. Ionic salts of AT and BT exhibit high heats of formation, compared with IBT salts, and the IBT salt shows a markedly different thermal behavior upon microwave heating, compared with AT and BT salts. 1-Methyl-4-aminotriazolium azotetrazolate has a layered structure and exhibits a heat of formation of +4360 kJ/kg.

Chemical Communications (Cambridge, United Kingdom) published new progress about Density. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, COA of Formula: C3H7IN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Tamura, Yasumitsu published the artcileReactions of 1-methyl-1H-1,2,4-triazolium 4-imine and 4-acylimines with acetylenic esters, COA of Formula: C3H7IN4, the main research area is triazolium imine acylation; triazoleacetate carboxamidomethylene; carboxamidomethylenetriazoleacetate.

Reaction of the triazolium iodide I with MeO2CCCCO2Me or MeO2CCCH in the presence of alkali followed by heating with H2O gave Me 1H-pyrazole-4-carboxylates in low yields; reaction of 4-acylimino-1-methyl-1H-1,2,4-triazolium betaines II (R = Ph,Me,OEt) with MeO2CCCH gave the 1-methyl-1H-1,2,4-triazole III.

Chemical & Pharmaceutical Bulletin published new progress about Acylation. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, COA of Formula: C3H7IN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Okabe, Takayuki published the artcileSyntheses of triazolopyrimidine derivatives from amitrole and their biological activity, Quality Control of 24415-66-5, the main research area is triazolopyrimidine synthesis amitrole fungicide; herbicide triazolopyrimidine synthesis amitrole.

Amitrole (3-amino-1,2,4-triazole) (I) [61-82-5] was condensed with active methylene ketones such as Et cyanoacetate, acetylacetone, ethyl acetoacetate to give the corresponding 7-amino-5-hydroxy-s-triazolo[1,5-a]pyrimidine [35186-69-7], 5,7-dimethyl-s-triazolo[1,5-a]pyrimidine [7681-99-4], and 7-hydroxy-5-methyl-s-triazolo[1,5-a]pyrimidine (II) [2503-56-2]; from II some 5-methyl-7-substituted-s-triazolopyrimidines were synthesized and tested for herbicidal and fungicidal activity. 7-Chloro-5-methyl-s-triazolo[1,5-a]pyrimidine (III) [24415-66-5] synthesized from II plus POCl3, as well as 5-methyl-7-thiocyano-s-triazolo[1,5-a]pyrimidine (IV) [35186-71-1] prepared from III plus NH4SCN actively inhibited spore germination of Ophiobolus miyabeanus. IV showed antibiotic effects on Bacillus subtilis, Pellicularia filamentosa, [Rhizoctonia solani], and Phytophthora infestans and was herbicidally active on Atriplex gmelini, but showed no growth regulatory activity on rice.

Gakugei Zasshi – Kyushu Daigaku Nogakubu published new progress about Fungicides. 24415-66-5 belongs to class triazoles, name is 7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine, and the molecular formula is C6H5ClN4, Quality Control of 24415-66-5.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Xue, Hong published the artcileNew Energetic Salts Based on Nitrogen-Containing Heterocycles, Synthetic Route of 39602-93-2, the main research area is azidotriazole iodomethane quaternization; nitric acid azidotriazole quaternization; perchloric acid azidotriazole quaternization; azidotriazolium energetic salt preparation crystal structure formation enthalpy; imidazolium nitrate preparation energetic salt formation enthalpy thermal stability; methyltetrazolium nitrate preparation energetic salt formation enthalpy thermal stability; perchlorate tetrazolium preparation energetic salt formation enthalpy thermal stability.

New energetic salts were synthesized via the quaternization of azido or nitro derivatives of imidazole, 1,2,4-triazole, and substituted derivatives of tetrazole with nitric or perchloric acid or iodomethane followed by metathesis reaction with silver nitrate or silver perchlorate. The structures of 1,4-dimethyl-3-azido-1,2,4-triazolium nitrate (I, R = Me), 3-azido-1,2,4-triazolium nitrate (I, R = H), 1-methyl-4-amino-1,2,4-triazolium perchlorate (II, R = NH2, X = ClO4-), and 1,4-dimethyl-2-H-1,2,4-triazolium triiodide (II, R = Me, X = I3-) were confirmed by single-crystal X-ray anal. Most of the salts exhibit good thermal stabilities and low m.ps. By using constant volume combustion energies that were determined exptl. using an oxygen bomb calorimeter, the standard molar enthalpies of formation were derived based on designed Hess thermochem. cycles.

Chemistry of Materials published new progress about Explosives. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Synthetic Route of 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Hughes, Samantha J. published the artcileFragment based discovery of a novel and selective PI3 kinase inhibitor, COA of Formula: C6H5ClN4, the main research area is PI3 kinase inhibitor imidazopyridine preparation SAR.

We report the use of fragment screening and fragment based drug design to develop a PI3γ kinase fragment hit into a lead. Initial fragment hits were discovered by high concentration biochem. screening, followed by a round of virtual screening to identify addnl. ligand efficient fragments. These were developed into potent and ligand efficient lead compounds using structure guided fragment growing and merging strategies. This led to a potent, selective, and cell permeable PI3γ kinase inhibitor, 12 (I), with good metabolic stability that was useful as a preclin. tool compound

Bioorganic & Medicinal Chemistry Letters published new progress about Drug design. 24415-66-5 belongs to class triazoles, name is 7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine, and the molecular formula is C6H5ClN4, COA of Formula: C6H5ClN4.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Ye, Chengfeng published the artcileSynthesis and thermochemical properties of NF2-containing energetic salts, Computed Properties of 39602-93-2, the main research area is difluoroamine tetrazolate salt explosive thermochem property; heat formation difluoroamine tetraazolate explosive salt; detonation property difluoroamine tetraazolate explosive salt.

Ammonium, 1,5-diamino-4-methyl-tetrazolium and 4-amino-1-methyl-triazolium salts of 5-difluoroaminodifluoromethyl-tetrazolate (TA-CF2NF2) were prepared by metathesis reactions of silver 5-difluoroaminodifluoromethyl-tetrazolate and the corresponding iodides. All are thermally stable to ∼150°. The ammonium salt has a d. of 1.88 g/cm-3. The combination of the CBS-4 method and isodesmic bond separation reactions was an economical and reliable method to estimate heats of formation for polyfluorinated mols. The standard heats of formation (ΔfH0298) of ammonium 5-difluoroaminodifluoromethyl-tetrazolate was calculated to be -53.13 kcal/mol-1 using the CBS-4 method. While its detonation pressures (P) and velocities (D) were estimated using Cheetah 4.0: P = 28.78 GPa; D = 8490 m/s-1; detonation properties for 1,5-diamino-4-methyl-tetrazolium salts of 5-difluoroaminomethyltetrazolate (TA-CH2NF2), 5-difluoroaminotetrazolate (TA-NF2) and 5-difluoroaminodinitromethyl-tetrazolate (TA-C(NO2)2NF2) are also compared based on predicted densities and computed heats of formation.

Journal of Fluorine Chemistry published new progress about Cyclization. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Computed Properties of 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Laus, Gerhard published the artcileSynthesis and crystal structures of new 1,4-disubstituted 1,2,4-triazoline-5-thiones, Recommanded Product: 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, the main research area is triazolinothione preparation crystal structure.

The simple synthesis of sulfur into the 5-position of 1,4-disubstituted quaternary 1,2,4-triazolium salts by two methods was investigated. The syntheses of 1,4-disubstituted 1,2,4-triazoline-5-thiones I (R1 = CH3, NH2, N(CH3)2, OCH2C6H5; R2 = CH3, CH(CH3)2, NH2, etc.) were reported. Thermolysis of I (R1 = R2 = CH3) in air gave 1,4-dimethyl-1,2,4-triazolium hydrogen sulfate. Crystal structures of I were determined by single-crystal X-ray diffraction. Intermol. hydrogen bonds (C-H-S, C-H-N, N-H-N, N-H-S) were observed in the solid state. The solvent-dependent 1H NMR chem. shifts of signals satisfactorily correlated with the Kamlet-Abboud-Taft π* and β parameters in ten solvents. From the lack of correlation with the α parameter and from the C:S bond length (average 1.67°), a significant contribution of a mesoionic imidazolium-2-thiolate resonance structure seems unlikely.

Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences published new progress about Bond length. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, Recommanded Product: 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Zuniga, Edison S. published the artcileThe synthesis and evaluation of triazolopyrimidines as anti-tubercular agents, Synthetic Route of 24415-66-5, the main research area is triazolo pyrimidine derivative preparation tuberculosis structure; Anti-tubercular activity; Mycobacterium tuberculosis; Triazolopyrimidines; Tuberculosis.

We identified a di-substituted triazolopyrimidine with anti-tubercular activity against Mycobacterium tuberculosis. Three segments of the scaffold were examined rationally to establish a structure-activity relationship with the goal of improving potency and maintaining good physicochem. properties. A number of compounds displayed sub-micromolar activity against Mycobacterium tuberculosis with no cytotoxicity against eukaryotic cells. Non-substituted aromatic rings at C5 and a two-carbon chain connecting a terminal aromatic at C7 were preferred features; the presence of NH at C7 and a lack of substituent at C2 were essential for potency. We identified compounds with acceptable metabolic stability in rodent and human liver microsomes. Our findings suggest that the easily-synthesized triazolopyrimidines are a promising class of potent anti-tubercular agents and warrant further investigation in our search for new drugs to fight tuberculosis.

Bioorganic & Medicinal Chemistry published new progress about Homo sapiens. 24415-66-5 belongs to class triazoles, name is 7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine, and the molecular formula is C6H5ClN4, Synthetic Route of 24415-66-5.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

da Silva, Edson R. published the artcileNovel Selective Inhibitor of Leishmania (Leishmania) amazonensis Arginase, Category: triazoles, the main research area is Leishmania leishmaniasis leishmanicide; Leishmania; arginase; polyamines; triazolopyrimidine; trifluoromethyl; trypanothione.

Arginase is a glycosomal enzyme in Leishmania that is involved in polyamine and trypanothione biosynthesis. The central role of arginase in Leishmania amazonensis was demonstrated by the generation of two mutants: one with an arginase lacking the glycosomal addressing signal and one in which the arginase-coding gene was knocked out. Both of these mutants exhibited decreased infectivity. Thus, arginase seems to be a potential drug target for Leishmania treatment. In an attempt to search for arginase inhibitors, 29 derivatives of the [1,2,4]triazolo[1,5-a]pyrimidine system were tested against Leishmania amazonensis arginase in vitro. The [1,2,4]triazolo[1,5-a]pyrimidine scaffold containing CF3 substituent exhibited greater activity against the arginase compared to one with Me substituent in the 2-position. The novel compound I was the most potent, inhibiting arginase by a noncompetitive mechanism, with the Ki and IC50 values for arginase inhibition estimated to be 17±1 μM and 16.5±0.5 μM, resp. These results can guide the development of new drugs against leishmaniasis based on [1,2,4]triazolo[1,5-a]pyrimidine derivatives targeting the arginase enzyme.

Chemical Biology & Drug Design published new progress about Homo sapiens. 24415-66-5 belongs to class triazoles, name is 7-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine, and the molecular formula is C6H5ClN4, Category: triazoles.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Chowdhury, Arindrajit published the artcileConfined rapid thermolysis/FTIR/ToF studies of methyl-amino-triazolium-based energetic ionic liquids, HPLC of Formula: 39602-93-2, the main research area is methyl amino triazolium energetic ionic liquid confined rapid thermolysis.

Thermal decomposition of the energetic ionic liquids 1-methyl-4-amino-1,2,4-triazolium iodide (Me4ATI), 1-methyl-4-amino-1,2,4-triazolium nitrate (Me4ATN), 1-amino-3-methyl-1,2,3-triazolium iodide (Me1ATI), and 1-amino-3-methyl-1,2,3-triazolium nitrate (Me1ATN) was studied by confined rapid thermolysis. Sub-milligram quantities of the compounds were subjected to decomposition under isothermal conditions achieved by initially heating the sample at rates of approx. 2000 K/s. The products formed by decomposition under the afore-mentioned conditions were sampled by rapid scan FTIR spectroscopy and time-of-flight mass spectrometry. Decomposition studies involving the iodide salts were carried out around 270-290°C, whereas the nitrate salts were subjected to 320-340 °C. The amino group was found to be involved in the initiation reaction, forming copious quantities of ammonia from the iodide compounds and, N2O and H2O from the nitrate compounds The extent of decomposition of the triazole ring was minimal at the considered temperatures

Thermochimica Acta published new progress about Ionic liquids. 39602-93-2 belongs to class triazoles, name is 4-Amino-1-methyl-4H-1,2,4-triazol-1-ium iodide, and the molecular formula is C3H7IN4, HPLC of Formula: 39602-93-2.

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics