Tag: 100-200

Using improved serial blood sampling method of mice to study pharmacokinetics and drug-drug interaction. was written by Watanabe, Ayahisa;Watari, Ryosuke;Ogawa, Keiko;Shimizu, Ryosuke;Tanaka, Yukari;Takai, Nozomi;Nezasa, Ken-ichi;Yamaguchi, Yoshitaka. And the article was included in Journal of pharmaceutical sciences in 2015.COA of Formula: C6H6N4 This article mentions the following:

In pharmacokinetic evaluation of mice, using serial sampling methods rather than a terminal blood sampling method could reduce the number of animals needed and lead to more reliable data by excluding individual differences. In addition, using serial sampling methods can be valuable for evaluation of the drug-drug interaction (DDI) potential of drug candidates. In this study, we established an improved method for serially sampling the blood from one mouse by only one incision of the lateral tail vein, and investigated whether our method could be adapted to pharmacokinetic and DDI studies. After intravenous and oral administration of ibuprofen and fexofenadine (BCS class II and III), the plasma concentration and pharmacokinetic parameters were evaluated by our method and a terminal blood sampling method, with the result that both methods gave comparable results (ibuprofen: 63.8 ± 4.0% and 64.4%, fexofenadine: 6.5 ± 0.7% and 7.9%, respectively, in bioavailability). In addition, our method could be adapted to DDI study for cytochrome P450 and organic anion transporting polypeptide inhibition. These results demonstrate that our method can be useful for pharmacokinetic evaluation from the perspective of reliable data acquisition as well as easy handling and low stress to mice and improve the quality of pharmacokinetic and DDI studies. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6COA of Formula: C6H6N4).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. Both the triazoles and their derivatives have significant biological properties including antimicrobial, antiviral, antitubercular, anticancer, anticonvulsant, analgesic, antioxidant, anti-inflammatory, and antidepressant activities.COA of Formula: C6H6N4

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

Human CYP2E1-dependent and human sulfotransferase 1A1-modulated induction of micronuclei by benzene and its hydroxylated metabolites in Chinese hamster V79-derived cells was written by Jiang, Hao;Lai, Yanmei;Hu, Keqi;Wei, Qinzhi;Liu, Yungang. And the article was included in Mutation Research, Fundamental and Molecular Mechanisms of Mutagenesis in 2014.COA of Formula: C6H6N4 This article mentions the following:

Benzene is a ubiquitous environmental pollutant and a confirmed human carcinogen, which requires metabolic activation, primarily by CYP2E1, for most of its biol. actions. Chromosome damages in benzene-exposed workers and rodents have been observed, and in their urine sulfo- and glucuronide-conjugates of phenol and hydroquinone were present. Yet, direct evidence for human CYP2E1-activated mutagenicity of benzene and the exact significance of phase II metabolism for inactivating benzene metabolites are still missing. In the present study, benzene and its oxidized metabolites (phenol, hydroquinone, catechol, 1,2,4-trihydroxybenzene and 1,4-benzoquinone) were investigated for induction of micronuclei in a V79-derived cell line genetically engineered for expression of both human CYP2E1 and human sulfotransferase (SULT) 1A1 (indicated by active micronuclei induction by 1-hydroxymethylpyrene). The results demonstrated concentration-dependent induction of micronuclei by benzene and phenol, though with lower potency or efficacy than the other metabolites. Inhibition of CYP2E1 by 1-aminobenzotriazole did not change the effect of benzoquinone, but completely abolished that of benzene and phenol, and attenuated that of the other compounds Moreover, inhibition of SULT1A1 by pentachlorophenol potentiated the effects of benzene, hydroquinone, catechol and trihydroxybenzene. Ascorbic acid, a reducing and free radical-scavenging agent, significantly lowered the effects of hydroquinone, catechol, trihydroxybenzene as well as N-nitrosodimethylamine (a known CYP2E1-dependent promutagen), with that of benzoquinone unaffected. These results suggest that in addition to activating benzene and phenol, human CYP2E1 may further convert hydroquinone, catechol and trihydroxybenzene to more genotoxic metabolites, and sulfo-conjugation of the multi-hydroxylated metabolites of benzene by human SULT1A1 may represent an important detoxifying pathway. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6COA of Formula: C6H6N4).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Many triazoles are versatile, biologically active compounds commonly used as fungicides and plant retardants. Many triazoles have antifungal effects: the triazole antifungal drugs include fluconazole, isavuconazole, itraconazole, voriconazole, pramiconazole, ravuconazole, and posaconazole and triazole plant-protection fungicides include epoxiconazole, triadimenol, myclobutanil, propiconazole, prothioconazole, metconazole, cyproconazole, tebuconazole, flusilazole and paclobutrazol.COA of Formula: C6H6N4

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

Amiodarone, Unlike Dronedarone, Activates Inflammasomes via Its Reactive Metabolites: Implications for Amiodarone Adverse Reactions was written by Kato, Ryuji;Ijiri, Yoshio;Hayashi, Tetsuya. And the article was included in Chemical Research in Toxicology in 2021.SDS of cas: 1614-12-6 This article mentions the following:

Amiodarone is a benzofuran derivative used to treat arrhythmias, but its use is limited by adverse reactions. There is evidence that some of the severe adverse reactions such as liver injury and interstitial lung disease are immune-mediated; however, details of the mechanism have not been elucidated. We tested the ability of amiodarone to induce the release of danger-associated mol. patterns (DAMPs) that activate inflammasomes. Human hepatocarcinoma functional liver cell-4 (FLC-4) cells were used for drug bioactivation, and the detection of inflammasome activation was performed with the human macrophage cell line, THP-1 cells. Amiodarone is known to be oxidized to reactive quinone metabolites. The supernatant from the incubation of amiodarone with FLC-4 cells for 7 days increased caspase-1 activity and production of IL-1β by THP-1 cells. In the supernatant of FLC-4 cells with amiodarone, the heat shock protein (HSP) 40 was significantly increased. Addition of a cytochrome P 450 inhibitor to the FLC-4 cells prevented the release of HSP40 from the FLC-4 cells and activation of THP-1 inflammasomes by the FLC-4 supernatant. These results suggested that the reactive quinone metabolites of amiodarone can cause the release of DAMPs from hepatocytes which can activate inflammasomes. Dronedarone, a safer analog of amiodarone, did not activate inflammasomes. Inflammasome activation may be an important step in the activation of the immune system by amiodarone, which in some patients, can cause immune-related adverse events. In addition, our data suggest that drugs that block the effects or the formation of IL-1β would provide better treatment of amiodarone-induced immune-related adverse reactions. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6SDS of cas: 1614-12-6).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles exhibit substantial isomerism, depending on the positioning of the nitrogen atoms within the ring. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.SDS of cas: 1614-12-6

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

Application of a micropatterned cocultured hepatocyte system to predict preclinical and human-specific drug metabolism was written by Ballard, T. Eric;Wang, Shuai;Cox, Loretta M.;Moen, Mark A.;Krzyzewski, Stacy;Ukairo, Okechukwu;Obach, R. Scott. And the article was included in Drug Metabolism & Disposition in 2016.Synthetic Route of C6H6N4 This article mentions the following:

Laboratory animal models are the industry standard for preclin. risk assessment of drug candidates. Thus, it is important that these species possess profiles of drug metabolites that are similar to those anticipated in human, since metabolites also could be responsible for biol. activities or unanticipated toxicity. Under most circumstances, preclin. species reflect human in vivo metabolites well; however, there have been several notable exceptions, and understanding and predicting these exceptions with an in vitro system would be very useful. Human micropatterned cocultured (MPCC) hepatocytes have been shown to recapitulate human in vivo qual. metabolic profiles, but the same demonstration has not been performed yet for laboratory animal species. In this study, we investigated several compounds that are known to produce human-unique metabolites through CYP2C9, UGT1A4, aldehyde oxidase (AO), or N-acetyltransferase that were poorly covered or not detected at all in the selected preclin. species. To perform our investigation we used 24-well MPCC hepatocyte plates having three individual human donors and a single donor each of monkey, dog, and rat to study drug metabolism at four time points per species. Through the use of the multispecies MPCC hepatocyte system, the metabolite profiles of the selected compounds in human donors effectively captured the qual. in vivo metabolite profile with respect to the human metabolite of interest. Human-unique metabolites that were not detected in vivo in certain preclin. species (normally dog and rat) were also not generated in the corresponding species in vitro, confirming that the MPCC hepatocytes can provide an assessment of preclin. species metabolism From these results, we conclude that multispecies MPCC hepatocyte plates could be used as an effective in vitro tool for preclin. understanding of species metabolism relative to humans and aid in the choice of appropriate preclin. models. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Synthetic Route of C6H6N4).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. The triazole ring is a relatively stable functional group, and the triazole bond can be used for a variety of applications, such as replacing the phosphate backbone of DNA. The presence of the three nitrogen atoms in triazole structures afforded opportunities for a plethora of structural modification with the generation of novel therapeutically potential agents, which is different from other heterocyclic compounds.Synthetic Route of C6H6N4

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

1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface: A DFT study was written by Saavedra-Torres, Mario;Escobar, Carlos A.;Ocayo, Fernanda;Tielens, Frederik;Santos, Juan C.. And the article was included in Chemical Physics Letters in 2017.Application of 1614-12-6 This article mentions the following:

In the context of copper corrosion passivation, the adsorption of benzotriazole (BTAH) and its derivatives: 5-Me, 5-Amine, 1-Amine, 1-Me on a Cu(1 1 1) surface was investigated using periodic d. functional (DFT) calculations The results were contrasted with exptl. ASTM protocols. Adsorption of BTAH and radical (BTA^·) forms, as well as solvent effect were evaluated. The Cu-N interaction provides stable complexes with adsorption over top sites. Radical forms yielded more stable complex. Their adsorption energies correlate with the substituent position and electronic features. A strong interaction was obtained when the charge transfer occurred from surface to adsorbate. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Application of 1614-12-6).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.Application of 1614-12-6

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

Syntheses, crystal structures and luminescent properties of two new zinc(II) complexes based on bifunctional ligand was written by Ye, Ying-Xiang;Zheng, Jian-Hong;Zeng, Yan-Ting;Lin, Yan-Li;Zhang, Liu-Qin;Wang, Li-Hua;Zhang, Zhang-Jing;Xiang, Sheng-Chang. And the article was included in Chinese Journal of Structural Chemistry in 2016.Related Products of 157069-48-2 This article mentions the following:

By using solvothermal method, two novel coordination polymers based on 4-(4-carboxyphen-yl)-1,2,4-triazole (Hcpt) and Zn(II) cations, [Zn(cpt)(OH)]_n·nH₂O (FJU-32) and [Zn(cpt)(atrz)]_n (FJU-33) (Hatrz = 3-amino-1,2,4-triazolate), were synthesized and characterized by single-crystal X-ray diffraction analyses, elemental analyses, FT-IR and powder X-ray diffraction. FJU-32 crystallizes in monoclinic, space group P21/c with a = 3.7441(3), b = 23.0384(19), c = 11.8562(10) Å, β = 99.069(8)°, V = 1009.91(15) ų, Dc = 1.898 g/cm³, C₉H₉N₃O₄Zn, Mr = 288.57, F(000) = 916, μ(MoKα) = 2.439 mm^-1, Z = 4, R = 0.0600 and wR = 0.1306 for 2412 observed reflections (I > 2σ (I)), and R = 0.0704 and wR = 0.1349 for all data. FJU-33 crystallizes in monoclinic space group P2 1/c with a = 12.7483(5), b = 9.9922(3), c = 9.8403(3) Å, β = 100.756(4)°, V = 1231.47(7) ų, Dc = 1.816 g/cm³, C₁₁H₉N₇O₂Zn, Mr = 336.62, F(000) = 680, μ(CuKα) = 2.957 mm^-1, Z = 4, R = 0.0478 and wR = 0.1184 for 2466 observed reflections (I > 2σ (I)), and R = 0.0687 and wR = 0.1309 for all data. In FJU-32, Zn(II) is coordinated to three μ₃-OH groups forming an unprecedented 1D zigzag-like double chain, and the 1D double chains are connected to four neighboring double chains by the cpt ligands to form an extended 3D porous coordination polymer. In FJU-33, the adjacent [Zn(atrz)] 2D layers are further connected by the cpt ligands via Zn-O coordinated bonds and neighboring interlayer hydrogen-bonding interactions to give rise to an overall 3D pillared layer structure. The neutral triazole group of the cpt ligand has weaker coordination ability than the triazolate anion of atrz ligand. Furthermore, FJU-32 and FJU-33 display high thermal stability up to 300°, and the solid state fluorescence reveals that two new complexes are potential optical materials. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Related Products of 157069-48-2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. Triazoles consist of a five-membered ring containing three nitrogen atoms and are biologically active, especially as antifungal, antimicrobial and enzyme inhibitors. Triazole growth retardants such as uniconazole and paclobutrazol have been known to inhibit the biosynthesis of gibberellins by blocking kaurene oxidase, an P450 enzymeRelated Products of 157069-48-2

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

Hydrogen cyanide. X. The tetrapolymer was written by Hinkel, L. E.;Richards, G. O.;Thomas, O.. And the article was included in Journal of the Chemical Society in 1937.Product Details of 4546-95-6 This article mentions the following:

The previous evidence for the structure of the polymerized form of HCN is reviewed and further evidence is adduced for its quadrimol. nature. The view that the polymer is diaminomaleic dinitrile is shown to be incorrect and experiments indicate it to be aminoiminosucconitrile (I). The polymerization product of HCN, m. 181° (decomposition), condenses with glyoxal in hot H₂O to give 6-hydroxy-2,3-dicyanodihydropyrazine, red, amorphous, decomposes 240° without melting; it is very slowly decomposed by boiling H₂O, but H₂O containing a little (CO₂H)₂ gives dicyanopyrazine (II), m. 132°. Hydrolysis of II by Na₂O₂ in H₂O and purification through the Ag salt give pyrazinedicarboxylic acid, m. 193°. The polymer of HCN in Et₂O, saturated with dry HCl, gives the HCl salt of I, decomposes 135°. Refluxing the polymer with aldehydes in EtOH for 30 min. gives the following derivatives of I: benzylidene (III), yellow, m. 191° (decomposition); salicylidene, yellow with green tinge, m. 234° (decomposition); m-bromosalicylidene, yellow, m. above 250°; anisylidene, yellow, m. 227° (decomposition); isobutylidene, m. 91° (decomposition); in no case could a 2nd mol. of aldehyde be condensed. The Ac derivative of I m. 164° (decomposition); the di-Ac derivative m. 224° (decomposition); the Ac derivative of III m. 227° (decomposition). Ac₂ and I give 2,3-dicyano-5,6-dimethylpyrazine (IV), m. 171°; benzil forms 2,3-dicyano-5,6-diphenylpyrazine, m. 246°. Hydrolysis of IV gives 2,3-dimethylpyrazine-5,6-dicarboxylic acid, m. 200°. The action of HNO₂ on I yields 4,5-dicyano-1,2,3-triazole (V), hydrolysis of which gives 1,2,3-triazole-4,5-dicarboxylic acid. The action of HNO₂ on the Ac derivative of I forms 4 (or 5)-cyano-1,2,3-triazole-5 (or 4)-carboxamide, m. 219° (decomposition), and V. Oxidation of III gives 4,5-dicyano-2-phenyliminazole, cream, m. 261° (decomposition); hydrolysis gives 2-phenyliminazole-4,5-dicarboxylic acid, m. 243-4°. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Product Details of 4546-95-6).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. Many triazoles have antifungal effects: the triazole antifungal drugs include fluconazole, isavuconazole, itraconazole, voriconazole, pramiconazole, ravuconazole, and posaconazole and triazole plant-protection fungicides include epoxiconazole, triadimenol, myclobutanil, propiconazole, prothioconazole, metconazole, cyproconazole, tebuconazole, flusilazole and paclobutrazol.Product Details of 4546-95-6

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

A hexanuclear Co^II complex assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: synthesis, crystal structure and magnetic property was written by Zou, Ji-yong;Shi, Wei;Gao, Hong-ling;Cui, Jian-zhong;Cheng, Peng. And the article was included in Wuji Huaxue Xuebao in 2014.SDS of cas: 4546-95-6 This article mentions the following:

A new hexanuclear Co^II complex, namely [Co₆(TDA)₄(H₂O)₁₄]·5H₂O (1) (H₃TDA = 1H-1,2,3-triazole-4,5-dicarboxylic acid), has been successfully synthesized and characterized by IR spectra, elemental anal., thermogravimetric anal., powder and single-crystal X-ray diffraction. Complex 1 crystallizes in orthorhombic space group P2₁2₁2, with cell parameters: a = 1.64730(2) nm, 6 = 1.65330(2) nm, c = 0.7326 90(10) nm and Flack parameter of 0.00(13). In title complex, six Co^II ions are connected by four TDA^3- ligands to form a hexanuclear Co^II unit, which can be extended to a 3D supramol. architecture through the hydrogen-bonding interactions. Magnetic study reveals the dominant antiferromagnetic interaction exist between Co^II ions in 1. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6SDS of cas: 4546-95-6).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. Many triazoles are versatile, biologically active compounds commonly used as fungicides and plant retardants. Due to the structural characteristics, both 1,2,3- and 1,2,4-triazoles are able to accommodate a broad range of substituents (electrophiles and nucleophiles) around the core structures and pave the way for the construction of diverse novel bioactive molecules.SDS of cas: 4546-95-6

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