Tag: 100-200

Human CYP2E1-dependent mutagenicity of mono- and dichlorobiphenyls in Chinese hamster (V79)-derived cells was written by Zhang, Chiteng;Lai, Yanmei;Jin, Guifang;Glatt, Hansruedi;Wei, Qinzhi;Liu, Yungang. And the article was included in Chemosphere in 2016.Computed Properties of C6H6N4 This article mentions the following:

Polychlorinated biphenyls (PCBs) are a group of persistent organic pollutants with confirmed carcinogenicity to humans. Metabolic activation of lower chlorinated PCBs to genotoxic metabolites may involve hydroxylation and further oxidation, and some hydroxylated metabolites may be sulfo-conjugated. However, the genotoxicity of individual PCB compounds is largely unknown. In this study, 15 mono- and dichlorobiphenyls were investigated for genotoxicity using the micronucleus and Hprt mutagenicity assays in a Chinese hamster V79-derived cell line expressing both human cytochrome P 450 (CYP) 2E1 and human sulfotransferase (SULT) 1A1 (V79-hCYP2E1-hSULT1A1). All tested compounds were inactive in both assays in V79 control cells. However, eight dichlorobiphenyls strongly induced micronuclei and other congeners were weakly pos. for this endpoint in V79-hCYP2E1-hSULT1A1 cells. The effects of each PCB in V79-hCYP2E1-hSULT1A1 cells were abolished or reduced in the presence of a CYP2E1 inhibitor (1-aminobenzotriazole), or enhanced by pretreatment of the cells with (CYP2E1-inducing) ethanol, while the genotoxicity was not significantly affected by a SULT1 inhibitor (pentachlorophenol). As representative dichlorobiphenyls, PCB 5, 10, 8 and 11 (2,3-, 2,5-, 2,4′- and 3,3′-dichlorobiphenyl, resp.) strongly induced Hprt gene mutations in V79-hCYP2E1-hSULT1A1 cells in a concentration-dependent manner. This is the first indication that human CYP2E1 is capable of converting a series of dichlorobiphenyls to strong mutagens. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Computed Properties of C6H6N4).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) 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 enzymeComputed Properties of C6H6N4

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

Synthesis of 1H-1,2,3-triazole under microwave irradiation was written by Xu, Wei-liang;Li, Yun-zheng;Zhang, Qing-shan;Zhu, He-sun. And the article was included in Jingxi Huagong in 2003.Computed Properties of C4H3N3O4 This article mentions the following:

Starting with benzotriazole, 1H-1,2,3-triazole was synthesized through two step reactions including oxidation by potassium permanganate and decarboxylation under microwave irradiation in overall yield of 64.7%. Compared with conventional method, in the decarboxylation reaction under microwave irradiation,the reaction time was reduced from 6 h to 6 min and the yield was enhanced from 65% to 97%. The product was corroborated by ¹H NMR, ¹³C NMR, IR and MS. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Computed Properties of C4H3N3O4).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. Triazoles exhibit substantial isomerism, depending on the positioning of the nitrogen atoms within the ring.Triazole heterocyclic structures are found to form many weak nonbond interactions with the receptors and enzymes in biological systems.Computed Properties of C4H3N3O4

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

Ln^III ion dependent magnetism in heterometallic Cu-Ln complexes based on an azido group and 1,2,3-triazole-4,5-dicarboxylate as co-ligands was written by Jiang, Xue;Han, Song-De;Zhao, Ran;Xu, Jian;Bu, Xian-He. And the article was included in RSC Advances in 2015.Formula: C4H3N3O4 This article mentions the following:

Four Cu-Ln coordination polymers [Cu₂Ln(tda)₂N₃(H₂O)₄·2H₂O] (Ln = Gd (1), Tb (2), Dy (3), Sm (4), tda = 1,2,3-triazole-4,5-dicarboxylate) were synthesized by employing H₃tda and azido as co-ligands. Complexes 1–4 exhibit the H bonded three-dimensional (3D) network and intriguing magnetic properties. Among them, 1, 3 and 4 involve antiferromagnetic interaction between metal ions, while 2 exhibits ferromagnetic behavior, demonstrating that magnetic properties could be mediated by a variety of rare earth metal ions. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Formula: C4H3N3O4).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. The many free lone pairs in triazoles make them useful as coordination compounds, although not typically as haptic ligands. Triazole growth retardants such as uniconazole and paclobutrazol have been known to inhibit the biosynthesis of gibberellins by blocking kaurene oxidase, an P450 enzymeFormula: C4H3N3O4

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

Subtypes of sodium-dependent high-affinity L-[³H]glutamate transport activity: Pharmacologic specificity and regulation by sodium and potassium was written by Robinson, Michael B.;Sinor, Jeroo D.;Dowd, Lisa A.;Kerwin, James F. Jr.. And the article was included in Journal of Neurochemistry in 1993.Reference of 4546-95-6 This article mentions the following:

Some data suggest that sodium-dependent, high-affinity L-glutamate (Glu) transport sites in forebrain are different from those in cerebellum. In the present study, sodium-dependent transport of L-[³H]Glu was characterized in cerebellum and cortex. In both cerebellar and cortical tissue, activity was enriched in synaptosomes. Approx. 100 excitatory amino acid analogs were tested as potential inhibitors of transport activity. Many of the compounds tested inhibited transport activity by <65% at 1 mM and were not studied further. One group of compounds exhibited inhibition conforming to theor. curves with Hill coefficients of 1 and were <10-fold selective as inhibitors of transport activity. These included three of the putative endogenous substrates for transport: L-Glu, L-aspartate, and L-cysteate. Four of the compounds exhibited inhibition conforming to theor. curves with Hill coefficients of 1 and were >10-fold selective as inhibitors. These included β-N-oxalyl-L-α,β-diaminopropionate, α-methyl-DL-glutamate, (2S, 1′S, 2′S)-2-(carboxycyclopropyl)glycine, and (2S, 1′S, S, 3′S)-2-(2-carboxy-3-methoxymethylcyclopropyl)glycine. Data obtained with a few of the inhibitors were consistent with two sites in one or both of the brain regions. (2S, 1′R, 2′R)-2-(Carboxycyclopropyl)glycine (L-CCG-II) was identified as the most potent (IC₅₀ = 5.5 μM) and selective (60-100-fold) inhibitor of transport activity in the cerebellum. One of the potential endogenous substrates, L-homocysteate, was also a selective inhibitor of cerebellar transport activity. The data for inhibition of transport activity in cortex by both L-CCG-II and L-homocysteate were best fit to two sites. Kainate was equipotent as an inhibition were best fit to two sites. The possibility that there are four subtypes of excitatory amino acid transport is discussed. Altering sodium and potassium levels affects cerebellar and cortical transport activity differently, suggesting that the differences extend to other recognition sites on these transporters. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Reference of 4546-95-6).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) 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.Reference of 4546-95-6

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

An unprecedented Co^II cuboctahedron as the secondary building unit in a Co-based metal-organic framework was written by Holmberg, Rebecca J.;Kay, Marika;Korobkov, Ilia;Kadantsev, Eugene;Boyd, Peter G.;Aharen, Tomoko;Desgreniers, Serge;Woo, Tom K.;Murugesu, Muralee. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2014.Application In Synthesis of 4-(4H-1,2,4-Triazol-4-yl)benzoic acid This article mentions the following:

A cubic metal-organic framework, [Co^II₈(OH)₆(cpt)₆][CoCl₄]₂ (Hcpt = 4-(4′-carboxyphenyl)-1,2,4-triazole), with an unprecedented octanuclear secondary building unit (SBU) was isolated. The obtained SBU is composed of 8 Co^II ions at each vertex, 6 μ₄-OH groups at each face, and 12 cpt^– ligands framing the metal core. The cuboctahedra arrange in a ubt framework topol., eliciting a highly sym. MOF structure. Magnetic measurements as well as DFT calculations on this crystalline MOF reveal intramol. antiferromagnetic coupling between Co^II ions in the octanuclear SBU. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Application In Synthesis of 4-(4H-1,2,4-Triazol-4-yl)benzoic acid).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. Many triazoles are versatile, biologically active compounds commonly used as fungicides and plant retardants. 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 In Synthesis of 4-(4H-1,2,4-Triazol-4-yl)benzoic acid

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

Cyhalothrin biodegradation in Cunninghamella elegans was written by Palmer-Brown, William;de Melo Souza, Paula Leticia;Murphy, Cormac D.. And the article was included in Environmental Science and Pollution Research in 2019.Application of 1614-12-6 This article mentions the following:

The insecticide λ-cyhalothrin was incubated with planktonic and biofilm cultures of the fungus Cunninghamella elegans. ¹⁹F NMR spectroscopy demonstrated that the compound was initially biosorbed to the biomass and more slowly degraded by the fungus. Furthermore, the presence of trifluoromethyl-containing metabolites was observed Anal. of culture extracts by gas chromatog.-mass spectrometry (GC-MS) identified non-fluorinated metabolites that suggested the likely catabolic pathway. The hydroxylated metabolites were probably generated from the action of cytochromes P 450 (CYPs), as the presence of CYP inhibitors resulted in the absence of biodegradation Planktonic cells were measurably faster at degrading the pesticide compared with biofilm. 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. 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.Application of 1614-12-6

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

Synthesis and antifungal activity of novel thiazole-containing triazole antifungals. II. Optically active ER-30346 and its derivatives was written by Tsuruoka, Akihiko;Kaku, Yumiko;Kakinuma, Hiroyuki;Tsukada, Itaru;Yanagisawa, Manabu;Nara, Kazumasa;Naito, Toshihiko. And the article was included in Chemical & Pharmaceutical Bulletin in 1998.HPLC of Formula: 179056-04-3 This article mentions the following:

A series of novel thiazole-containing triazole antifungals, I (R₁ = Ph, 4-FC₆H₄, Q, etc.) and II (X = CH, N, Y = Cl, F, CSNH₂, etc.), was synthesized and evaluated for antifungal activity against a variety of clin. isolated pathogenic fungi in vitro and against systemic candidosis in vivo. These compounds showed potent antifungal activities in vitro and in vivo. In particular, (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1 ,2,4-triazol-1-yl)-2-butanol (ER-30346) showed potent and well-balanced in vitro activities and potent in vivo efficacy, and had a good safety profile. In the experiment, the researchers used many compounds, for example, 4-(2H-1,2,3-Triazol-2-yl)benzaldehyde (cas: 179056-04-3HPLC of Formula: 179056-04-3).

4-(2H-1,2,3-Triazol-2-yl)benzaldehyde (cas: 179056-04-3) 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. 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.HPLC of Formula: 179056-04-3

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

Metabolic map of the antiviral drug podophyllotoxin provides insights into hepatotoxicity was written by Sun, Dongxue;Gao, Xiaoxia;Wang, Qiao;Krausz, Kristopher W.;Fang, Zhongze;Zhang, Youbo;Xie, Cen;Gonzalez, Frank J.. And the article was included in Xenobiotica in 2021.Name: 1H-Benzo[d][1,2,3]triazol-1-amine This article mentions the following:

Podophyllotoxin (POD) is a natural compound with antiviral and anticancer activities. The purpose of the present study was to determine the metabolic map of POD in vitro and in vivo. Mouse and human liver microsomes were employed to identify POD metabolites in vitro and recombinant drug-metabolizing enzymes were used to identify the mono-oxygenase enzymes involved in POD metabolism All in vitro incubation mixtures and bile samples from mice treated with POD were analyzed with ultra-performance liquid chromatog. coupled with electrospray ionization quadrupole time-of-flight mass spectrometry. A total of 38metabolites, including six phase-I metabolites and 32 phase-II metabolites, of POD were identified from bile and faeces samples after oral administration, and their structures were elucidated through interpreting MS/MS fragmentation patterns. Nine metabolites, including two phase-I metabolites, five glucuronide conjugates, and two GSH conjugates were detected in both human and mouse liver microsome incubation systems and the generation of all metabolites were NADPH-dependent. The main phase-I enzymes involved in metabolism of POD in vitro include CYP2C9, CYP2C19, CYP3A4, and CYP3A5. POD administration to mice caused hepatic and intestinal toxicity, and the cellular damage was exacerbated when 1-aminobenzotriazole, a broad-spectrum inhibitor of CYPs, was administered with POD, indicating that POD, but not its metabolites, induced hepatic and intestinal toxicities. This study elucidated the metabolic map and provides important reference basis for the safety evaluation and rational for the clin. application of POD. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Name: 1H-Benzo[d][1,2,3]triazol-1-amine).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. The many free lone pairs in triazoles make them useful as coordination compounds, although not typically as haptic ligands. Triazoles are compounds with a vast spectrum of applications, varying from materials (polymers), agricultural chemicals, pharmaceuticals, photoactive chemicals and dyes.Name: 1H-Benzo[d][1,2,3]triazol-1-amine

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

Complexation of different transition metals with 4-(4-carboxyphenyl)-1,2,4-triazole: Synthesis, crystal structure and hirshfeld surfaces was written by Jiang, Ye-Hao;Liu, Qing-Ling;Luo, Yang-Hui;Sun, Bai-Wang. And the article was included in Journal of Molecular Structure in 2017.Reference of 157069-48-2 This article mentions the following:

Four new complexes based on the 4-(4-carboxyphenyl)-1,2,4-triazole (Hcpt) ligand, {[Co(cpt)₂(H₂O)₄]·H₂O} (1), {[Cr(cpt)₂(H₂O)₄]·10H₂O} (2), {[Fe(cpt)₂(H₂O)₄]·10H₂O} (3), {[Zn(cpt)₂ (H₂O)₂]} (4) have been synthesized and characterized by elemental anal., single crystal x-ray diffraction and TGA. For complexes 1, 2, and 3, they almost have the same coordination mode that only one nitrogen atom of triazole are involved in the coordination, while in the complex 4, only the group COO^– participates in the coordination. In the crystal structure of 1, each structural unit[Co(cpt)₂(H₂O)₄] is linked to another by hydrogen bonding formed by the lattice water mols., thus forming a one-dimensional chain structure; In the crystal structure of 2 or 3, each structural unit[Cr(cpt)₂(H₂O)₄] or [Fe(cpt)₂(H₂O)₄] forms a two-dimensional layered structure by intermol. hydrogen bonds from the coordinated water mol. and the group COO^–. The results of TGA show that the loss of lattice water and coordinated water mols. in 1, 2 and 3 is <120°, while the loss of coordinated water mols. in 4 is at 190-260°. Hirshfeld surface shows that the N-H···O hydrogen bonding interaction plays a significant role towards the conformation of the basic structure of these complexes. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Reference of 157069-48-2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) 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. Triazole growth retardants such as uniconazole and paclobutrazol have been known to inhibit the biosynthesis of gibberellins by blocking kaurene oxidase, an P450 enzymeReference of 157069-48-2

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

Two spin-competing manganese(II) coordination polymers exhibiting unusual multi-step magnetization jumps was written by Zhang, Wei-Xiong;Xue, Wei;Zheng, Yan-Zhen;Chen, Xiao-Ming. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2009.Electric Literature of C4H3N3O4 This article mentions the following:

Two new three-dimensional manganese(II) coordination polymers, Mn₃(tzdc)₂(H₂O)₂(NH₃)₂ and Mn₃(tzdc)₂(H₂O)₄, were assembled by 1,2,3-triazole-4,5-dicarboxylate (tzdc), showing unusual multi-step magnetization jumps at 1.8 K due to the competing interactions between the antiferromagnetic couplings with different amplitudes. The mol. structures of both complexes were determined by X-ray crystallog. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Electric Literature of C4H3N3O4).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) 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.Triazole heterocyclic structures are found to form many weak nonbond interactions with the receptors and enzymes in biological systems.Electric Literature of C4H3N3O4

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