Category: Triazoles

Johansson, Patrik published the artcileNew lithium salts on the computer: fiction or fact?, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Electrochimica Acta (2001), 46(10-11), 1545-1552, database is CAplus.

Ab initio quantum mech. calculations were developed to be used in evaluation of new lithium salts for use in salt/polymer electrolyte systems. To validate this approach, traditional polymer electrolyte salts like LiBF₄, LiClO₄, Li[(CF₃SO₂)₂N] (LiTFSI), etc. were subjected to the evaluation. The results were then used as a reference system and compared to exptl. studies using vibrational spectroscopy to elucidate the effect of the anion on the local lithium ion-oxygen coordination strength. The successes and failures of some non-conventional lithium salts were studied and explained with the method. Several salt-polymer systems were thus designed and evaluated by the method; the evaluation suggests that these systems are suitable alternatives for neat salt/polymer systems. The a priori calculated effects on different substitutions for a given basic system are illustrated.

Electrochimica Acta published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, Application of 1H-1,2,3-Triazole-4,5-dicarbonitrile.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Carlin, Jesse Lea published the artcileActivation of adenosine A_2A or A_2B receptors causes hypothermia in mice, SDS of cas: 377727-87-2, the publication is Neuropharmacology (2018), 268-278, database is CAplus and MEDLINE.

A review. Extracellular adenosine is a danger/injury signal that initiates protective physiol., such as hypothermia. Adenosine has been shown to trigger hypothermia via agonism at A₁ and A₃ adenosine receptors (A₁AR, A₃AR). Here, we find that adenosine continues to elicit hypothermia in mice null for A₁AR and A₃AR and investigated the effect of agonism at A_2AAR or A_2BAR. The poorly brain penetrant A_2AAR agonists CGS-21680 and PSB-0777 caused hypothermia, which was not seen in mice lacking A_2AAR. MRS7352, a likely non-brain penetrant A_2AAR antagonist, inhibited PSB-0777 hypothermia. While vasodilation is probably a contributory mechanism, A_2AAR agonism also caused hypometabolism, indicating that vasodilation is not the sole mechanism. The A_2BAR agonist BAY60-6583 elicited hypothermia, which was lost in mice null for A_2BAR. Low intracerebroventricular doses of BAY60-6583 also caused hypothermia, indicating a brain site of action, with neuronal activation in the preoptic area and paraventricular nucleus of the hypothalamus. Thus, agonism at any one of the canonical adenosine receptors, A₁AR, A_2AAR, A_2BAR, or A₃AR, can cause hypothermia. This four-fold redundancy in adenosine-mediated initiation of hypothermia may reflect the centrality of hypothermia as a protective response.

Neuropharmacology published new progress about 377727-87-2. 377727-87-2 belongs to triazoles, auxiliary class GPCR/G Protein,Adenosine Receptor, name is 2-(Furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, and the molecular formula is C25H29N9O3, SDS of cas: 377727-87-2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Alnouri, Mohamad Wessam published the artcileSelectivity is species-dependent: Characterization of standard agonists and antagonists at human, rat, and mouse adenosine receptors, Formula: C25H29N9O3, the publication is Purinergic Signalling (2015), 11(3), 389-407, database is CAplus and MEDLINE.

Adenosine receptors (ARs) have emerged as new drug targets. The majority of data on affinity/potency and selectivity of AR ligands described in the literature has been obtained for the human species. However, preclin. studies are mostly performed in mouse or rat, and standard AR agonists and antagonists are frequently used for studies in rodents without knowing their selectivity in the investigated species. In the present study, we selected a set of frequently used standard AR ligands, 8 agonists and 16 antagonists, and investigated them in radioligand binding studies at all four AR subtypes, A₁, A_2A, A_2B, and A₃, of three species, human, rat, and mouse. Recommended, selective agonists include CCPA (for A₁AR of rat and mouse), CGS-21680 (for A_2A AR of rat), and Cl-IB-MECA (for A₃AR of all three species). The functionally selective partial A_2B agonist BAY60-6583 was found to addnl. bind to A₁ and A₃AR and act as an antagonist at both receptor subtypes. The antagonists PSB-36 (A₁), preladenant (A_2A), and PSB-603 (A_2B) displayed high selectivity in all three investigated species. MRS-1523 acts as a selective A₃AR antagonist in human and rat, but is only moderately selective in mouse. The comprehensive data presented herein provide a solid basis for selecting suitable AR ligands for biol. studies.

Purinergic Signalling published new progress about 377727-87-2. 377727-87-2 belongs to triazoles, auxiliary class GPCR/G Protein,Adenosine Receptor, name is 2-(Furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, and the molecular formula is C25H29N9O3, Formula: C25H29N9O3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

He, Xiaomeng published the artcileDiscovery of highly potent triazole antifungal agents with piperidine-oxadiazole side chains, HPLC of Formula: 86386-77-8, the publication is MedChemComm (2015), 6(4), 653-664, database is CAplus.

Due to increasing incidence and mortality of invasive fungal infections, discovery and development of new generations of antifungal agents represents a challenging task. On the basis of the authors’ previously reported triazole-benzyloxypiperidinyl lead compound, a series of novel triazole antifungal agents containing piperidine-oxadiazole side chains were rationally designed and synthesized. Most of the target compounds showed excellent inhibitory activity against clin. important fungal pathogens. In particular, compounds 6g (MIC = 0.031 μg mL^-1) and 11b (MIC = 0.016 μg mL^-1) were highly active against Candida albicans including fluconazole-resistant strains. Moreover, they showed inhibitory activity against hyphal formation with low toxicity, which were promising leads for further development.

MedChemComm published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, HPLC of Formula: 86386-77-8.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Chen, Hai-Jiang published the artcileNew triazole derivatives containing substituted 1,2,3-triazole side chains: Design, synthesis and antifungal activity, Product Details of C12H13F2N3O4S, the publication is Chinese Chemical Letters (2017), 28(4), 913-918, database is CAplus.

A series of novel antifungal triazoles I (R = t-Bu, cyclopropyl, Ph) was designed and synthesized by reaction of azides with terminal alkynes. Synthesized compounds I were screened for their antifungal activity; results revealed that several target compounds showed good antifungal activity with a broad spectrum. In particular, compound I (R = cyclopropyl) was highly active against Candida albicans and Candida glabrata. Moreover, compound I (R = cyclopropyl) showed potent in vivo antifungal efficiency in the Caenorhabditis elegans-C. albicans infection model.

Chinese Chemical Letters published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C12H13F2N3O4S, Product Details of C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Tipping, Anthony E. published the artcileStructure, Basicity, and Thermodynamic Properties of 3,5-Bis(trifluoromethyl)-1,2,4-triazole with Regard to 1,2,4-Triazole: The Trifluoromethylation Effect, SDS of cas: 63598-71-0, the publication is Journal of Organic Chemistry (1994), 59(5), 1039-46, database is CAplus.

Thermodn. properties (enthalpies of sublimation, gas-phase basicity) of 3,5-bis(trifluoromethyl)-1,2,4-triazole have been measured. These properties are discussed in the larger framework of two other triazoles, the parent compound and 3(5)-(trifluoromethyl)-1,2,4-triazole, thanks to ab initio calculations at the MP2/6-31G^*//6-31G^* level of accuracy. The calculations provide (i) an excellent description of the vibrational frequencies of 1H-1,2,4-triazole; (ii) a geometry for this compound more consistent with the microwave results; (iii) a description of the trifluoromethyl group as a substituent in the azole series; (i.v.) an excellent accord with the exptl. proton affinity, and (v) an understanding of the interesting properties of the title compound

Journal of Organic Chemistry published new progress about 63598-71-0. 63598-71-0 belongs to triazoles, auxiliary class Triazole, name is 4H-1,2,4-Triazole, and the molecular formula is C5H5ClIN, SDS of cas: 63598-71-0.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Wang, Shengzheng published the artcileDesign, synthesis and structure-activity relationships of new triazole derivatives containing N-substituted phenoxypropylamino side chains, COA of Formula: C12H13F2N3O4S, the publication is European Journal of Medicinal Chemistry (2012), 292-299, database is CAplus and MEDLINE.

It is highly desirable to develop novel azoles with improved biol. profiles. The structure-activity relationship (SAR) of the N-substitutions was investigated in this study. In vitro antifungal activities revealed that sterically large groups were not favored for the N-substitutions. The removal of the N-substitutions had little effect on the antifungal activity. Two compounds with free amine group, including 1-[[3-(4-bromophenoxy)propyl]amino]-2(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol, showed excellent activity with broad antifungal spectrum. The SAR results were supported by mol. docking and the N-substitutions were found to be important for the conformation of the side chains. The SAR and binding mode of the azoles are useful for further lead optimization.

European Journal of Medicinal Chemistry published new progress about 86386-77-8. 86386-77-8 belongs to triazoles, auxiliary class Epoxides,Triazole,Fluoride,Salt,Sulfonic acid,Benzene, name is 1-((2-(2,4-Difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole methanesulfonate, and the molecular formula is C13H19Br2ClN2O, COA of Formula: C12H13F2N3O4S.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Chen, Dong published the artcileStudy of Six Green Insensitive High Energetic Coordination Polymers Based on Alkali/Alkali-Earth Metals and 4,5-Bis(tetrazol-5-yl)-2 H-1,2,3-triazole, Name: 1H-1,2,3-Triazole-4,5-dicarbonitrile, the publication is Chemistry – An Asian Journal (2017), 12(24), 3141-3149, database is CAplus and MEDLINE.

Constructing insensitive high-performance energetic coordination polymers (ECPs) with alkali/alkali-earth metal ions and a nitrogen-rich organic backbone has been proved to be a feasible strategy in this work. Six diverse dimensional novel ECPs were successfully synthesized from Na^I, Cs^I, Ca^II, Sr^II, Ba^II ions and a nitrogen-rich triheterocyclic 4,5-bis(tetrazol-5-yl)-2 H-1,2,3-triazole (H₃BTT). All compounds show outstanding stability and low sensitivity, the thermal stability of these ECPs are significantly improved as the structural reinforcement increases from 1D to 3D, in which the decomposition temperature of 3D Ba^II based compound is as high as 397°. Long-term storage experiments show that two of the compounds are stable enough at high temperature Moreover, the six compounds hold considerable detonation performances, in which Ca^II based compound possesses the detonation velocity of 9.12 km s^-1, along with the detonation pressure of 34.51 GPa, exceeding those of most energetic coordination polymers. Burn tests further certify that the six compounds can be versatile pyrotechnics.

Chemistry – An Asian Journal published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, Name: 1H-1,2,3-Triazole-4,5-dicarbonitrile.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Armand, Michel published the artcileNovel weakly coordinating heterocyclic anions for use in lithium batteries, COA of Formula: C4HN5, the publication is Journal of Power Sources (2008), 178(2), 821-825, database is CAplus.

Ab initio calculations have been performed for a new family of lithium salts based on heterocyclic anions: [CF₃SON₄C_2n]^– (0≤n≤4). In total, 10 different anions and their 1:1 ion pairs with lithium ions have been studied. The lithium ion affinity globally decreases with the degree of CN-substitution to the ring. Bidentate lithium ion coordination to the sulfonyl oxygen atom and one addnl. atom or to two adjacent ring nitrogen atoms is strongly preferred when structurally possible. The extremely low lithium ion affinities of the anions together with an appreciable stability towards oxidation make these salts possible candidates for future lithium battery electrolytes.

Journal of Power Sources published new progress about 53817-16-6. 53817-16-6 belongs to triazoles, auxiliary class Triazoles, name is 1H-1,2,3-Triazole-4,5-dicarbonitrile, and the molecular formula is C4HN5, COA of Formula: C4HN5.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Micewicz, Ewa D. published the artcileIdentification of novel small-molecule inhibitors of Zika virus infection, Formula: C25H29N9O3, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(3), 452-458, database is CAplus and MEDLINE.

The recent re-emergence of Zika virus (ZIKV), a member of the Flaviviridae family, has become a global emergency and a serious public health threat worldwide. ZIKV infection causes severe neuroimmunopathol. and is particularly harmful to the developing fetuses of infected pregnant women causing various developmental abnormalities. Currently, there are no effective methods of preventing or treating ZIKV infection, and new treatment options are urgently needed. Therefore, we have used an in vitro plaque assay to screen a limited proprietary library of small organic compounds and identified highly bioactive leads, with the most active analogs showing activity in low picomolar range. Identified “hits” possess certain common structural features that can be used in the design of the next generation(s) of ZIKV inhibitors. Collectively, our findings suggest that identified compounds represent excellent template(s) for the development of inexpensive and orally available anti-Zika drugs.

Bioorganic & Medicinal Chemistry Letters published new progress about 377727-87-2. 377727-87-2 belongs to triazoles, auxiliary class GPCR/G Protein,Adenosine Receptor, name is 2-(Furan-2-yl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine, and the molecular formula is C25H29N9O3, Formula: C25H29N9O3.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics