Category: 1455-77-2

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

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

Hadhoum, Nadia published the artcileDesign and one-pot synthesis of some new [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]]-1H-1,2,4-triazole derivatives: in silico admet and docking study, antibacterial and antifungal activities evaluation, Name: 3,5-Diamino-1,2,4-triazole, the main research area is diphenyl imidazolyl triazole preparation mol docking antibacterial antifungal SAR.

In this paper, a new series of some [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]-1H-1,2,4-triazole derivatives I (R = H, Ph, 4-MeOC6H4, etc.) were efficiently synthesized by a one-pot three component reaction via a coupling of benzil, aldehydes and 3,5-diamino-1,2,4-triazole and using ceric ammonium nitrate as a catalyst. The structures of the newly compounds were investigated by IR, 1H NMR, 13C NMR and UV-visible spectroscopy. The in vitro antibacterial and antifungal activities showed that the I (R = 2-OH,5-O2NC6H3) is the most active compound The I (R = 2-OH,5-O2NC6H3) docking study revealed the best mode of binding in the active site of the cytochrome P 450 lanosterol 14α-demethylase. All the synthesized compounds were predicted as non-carcinogens and demonstrated acceptable pharmacokinetic profile in blood brain barrier (BBB) and human intestinal absorption (HIA).

Heterocycles published new progress about Aldehydes 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, Name: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hadhoum, Nadia published the artcileDesign and one-pot synthesis of some new [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]]-1H-1,2,4-triazole derivatives: in silico admet and docking study, antibacterial and antifungal activities evaluation, Name: 3,5-Diamino-1,2,4-triazole, the main research area is diphenyl imidazolyl triazole preparation mol docking antibacterial antifungal SAR.

In this paper, a new series of some [3,5-di(4′,5′-diphenyl-2′-substituted)-1H-imidazol-1-yl]-1H-1,2,4-triazole derivatives I (R = H, Ph, 4-MeOC6H4, etc.) were efficiently synthesized by a one-pot three component reaction via a coupling of benzil, aldehydes and 3,5-diamino-1,2,4-triazole and using ceric ammonium nitrate as a catalyst. The structures of the newly compounds were investigated by IR, 1H NMR, 13C NMR and UV-visible spectroscopy. The in vitro antibacterial and antifungal activities showed that the I (R = 2-OH,5-O2NC6H3) is the most active compound The I (R = 2-OH,5-O2NC6H3) docking study revealed the best mode of binding in the active site of the cytochrome P 450 lanosterol 14α-demethylase. All the synthesized compounds were predicted as non-carcinogens and demonstrated acceptable pharmacokinetic profile in blood brain barrier (BBB) and human intestinal absorption (HIA).

Heterocycles published new progress about Aldehydes 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, Name: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Huo, Xiansen published the artcileOne-Pot, Multi-Component Synthesis of Novel 2-Amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Derivatives as Antiproliferative Agents, Synthetic Route of 1455-77-2, the main research area is amino methyl aryl triazolo pyrimidine carboxamide preparation anticancer human; benzaldehyde triazole diamine acetoacetamide Biginelli like heterocyclization catalyst TsOH.

A novel series of 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide derivatives I [R1 = H, 3,4,5-tri-MeOC6H2; R2 = Ph, Bn, 3-OH-4-MeOC6H3, etc.] had been achieved successfully via an efficient one-pot three-component Biginelli-like heterocyclization reaction between different benzaldehydes, 1H-1,2,4-triazole-3,5-diamine, and N-substituted acetoacetamides in the presence of p-toluenesulfonic acid as a catalyst. Moreover, the effects of different conditions on the reaction were well investigated. In addition, cancer cell growth inhibition activity for these target compounds I was also explored, and analog I [R1 = 3,4,5-tri-MeOC6H2; R2 = 3-OH-4-MeOC6H3] demonstrated the most potent cytotoxic activity against different cancer cells. These finds indicat that 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide I core could be well worth further optimization as a potential scaffold for development of anticancer agents.

ChemistrySelect published new progress about Amides, secondary 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, Synthetic Route of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Huo, Xiansen published the artcileOne-Pot, Multi-Component Synthesis of Novel 2-Amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Derivatives as Antiproliferative Agents, SDS of cas: 1455-77-2, the main research area is amino methyl aryl triazolo pyrimidine carboxamide preparation anticancer human; benzaldehyde triazole diamine acetoacetamide Biginelli like heterocyclization catalyst TsOH.

A novel series of 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide derivatives I [R1 = H, 3,4,5-tri-MeOC6H2; R2 = Ph, Bn, 3-OH-4-MeOC6H3, etc.] had been achieved successfully via an efficient one-pot three-component Biginelli-like heterocyclization reaction between different benzaldehydes, 1H-1,2,4-triazole-3,5-diamine, and N-substituted acetoacetamides in the presence of p-toluenesulfonic acid as a catalyst. Moreover, the effects of different conditions on the reaction were well investigated. In addition, cancer cell growth inhibition activity for these target compounds I was also explored, and analog I [R1 = 3,4,5-tri-MeOC6H2; R2 = 3-OH-4-MeOC6H3] demonstrated the most potent cytotoxic activity against different cancer cells. These finds indicat that 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide I core could be well worth further optimization as a potential scaffold for development of anticancer agents.

ChemistrySelect published new progress about Amides, secondary 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, SDS of cas: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Zhaogai published the artcileConcentrating sulphur-containing flavour from Toona sinensis shoots using corn oil with and without aqueous dispersion, Application In Synthesis of 1455-77-2, the main research area is Toona sinensis flavor corn oil.

Toona sinensis (TS) shoot is a seasonal and quick deteriorating vegetable with unique alliaceous flavor. In this study, corn oil was used to concentration the sulfur-containing compounds responsible for the unique TS flavor with and without aq dispersion. The level of sulfur-containing compounds in TS shoots was 0.32μg g-1 and concentratio to 2.34μg g-1 in the corn oil with aq dispersion. The sulfur-containing compounds, trans-2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene and (E,Z)-Di-1-propenyldisulfide, were identified in the corn oil, while they were not detected in the oil without aq dispersion. Based on sensory and electronic nose anal., the aroma of corn oil with aq medium extraction had stronger alliaceous aroma than TS shoots and the extraction corn oil without aq dispersion. With aq dispersion assistance, the sulfur-containing aroma compounds in TS shoots were effectively concentration in corn oil. The flavor-enriched oil could serve as a flavor ingredient to deliver TS shoots aroma for different food applications.

International Journal of Food Science and Technology published new progress about Corn oil Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Application In Synthesis of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Zhaogai published the artcileConcentrating sulphur-containing flavour from Toona sinensis shoots using corn oil with and without aqueous dispersion, Recommanded Product: 3,5-Diamino-1,2,4-triazole, the main research area is Toona sinensis flavor corn oil.

Toona sinensis (TS) shoot is a seasonal and quick deteriorating vegetable with unique alliaceous flavor. In this study, corn oil was used to concentration the sulfur-containing compounds responsible for the unique TS flavor with and without aq dispersion. The level of sulfur-containing compounds in TS shoots was 0.32μg g-1 and concentratio to 2.34μg g-1 in the corn oil with aq dispersion. The sulfur-containing compounds, trans-2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene and (E,Z)-Di-1-propenyldisulfide, were identified in the corn oil, while they were not detected in the oil without aq dispersion. Based on sensory and electronic nose anal., the aroma of corn oil with aq medium extraction had stronger alliaceous aroma than TS shoots and the extraction corn oil without aq dispersion. With aq dispersion assistance, the sulfur-containing aroma compounds in TS shoots were effectively concentration in corn oil. The flavor-enriched oil could serve as a flavor ingredient to deliver TS shoots aroma for different food applications.

International Journal of Food Science and Technology published new progress about Corn oil Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Recommanded Product: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhen, Zong-Yuan published the artcileDetermination of volatile flavor compounds in raw and treated duck meats of different body parts, Computed Properties of 1455-77-2, the main research area is volatile flavor compound body part duck meat; duck meat; gas chromatography-mass spectrometry (GC-MS); headspace solid-phase micro-extraction (SPME); volatile flavor substance.

The compounds in volatile flavor substances in duck meats of three different body parts (breast, leg, and wing) were extracted by headspace solid-phase micro-extraction and determined by gas chromatog.-mass spectrometry. A total of 16 main volatile compounds including 4 hydrocarbons, 4 alcs., 2 acids, 3 aldehydes, and 3 others (N-containing, S-containing) were identified in raw duck meats from three different body parts. The hydrocarbon compounds account for more than 50% of all volatile substances in all three body parts. And the percentage of hydrocarbon compounds in raw duck breast meat reaches 82.76%. A total of 81 volatile compounds including 15 hydrocarbons, 10 alcs., 7 acids, 12 aldehydes, 4 esters, 19 S-containing and N-containing compounds, and 14 others were isolated and identified in 1 h-marinated and cooked duck meats. A total of 101 kinds of volatile flavor compounds including 13 hydrocarbons, 14 alc., 7 acids, 8 aldehydes, 12 esters, 23 S-containing and N-containing compounds, and 24 others were detected in 3 h-marinated duck meats of the three body parts. It was proved in this study that under the same conditions, the volatile compounds in duck legs are more than those in duck breasts and wings, and the types of volatile flavor substances increase significantly in duck meats after cooked. Practical applications Prepared and cooked duck meat, especially wings and legs are popular food in China. The results suggest that Pickling makes duck meat more flavory while proper pickling time is less than 3 h. Duck wings are better for marinating and cooking compared with duck breasts and legs. The acceptance study of duck meat from different body parts and the anal. of volatile flavor compounds are beneficial for optimizing utilization of whole parts of duck meat.

Journal of Food Biochemistry published new progress about Alcohols Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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