Month: February 2023

Screening of plant-based natural compounds as an inhibitor of FtsZ from Salmonella Typhi using the computational, biochemical and in vitro cell-based studies was written by Naz, Farah;Kumar, Mukesh;Koley, Tirthankar;Sharma, Priyanka;Haque, Muhammad Anzarul;Kapil, Arti;Kumar, Manoj;Kaur, Punit;Ethayathulla, Abdul Samath. And the article was included in International Journal of Biological Macromolecules in 2022.Reference of 2086-83-1 This article mentions the following:

Salmonella Typhi is emerging as a drug-resistant pathogen, particularly in developing countries. Hence, the progressive development of new antibiotics against novel drug targets is essential to prevent the spread of infections and mortality. The cell division protein FtsZ is an ideal drug target as the cell wall synthesis in bacteria is driven by the dynamic treadmilling nature of the FtsZ. The polymerization of the FtsZ provides the essential mech. constricting force and flexibility to modulate the cell wall synthesis. Any alteration in FtsZ polymerization leads to the bactericidal or bacteriostatic effect. In this study, we have evaluated the secondary metabolites of natural compounds berberine chloride, cinnamaldehyde, scopoletin, quercetin and eugenol as potential inhibitors of FtsZ from Salmonella Typhi (stFtsZ) using computational, biochem., and in vivo cell-based assays. Out of these five compounds, berberine chloride and cinnamaldehyde exhibited the best binding affinity of Kd = 7μM and 10μM, resp. and inhibit stFtsZ GTPase activity and polymerization by 70%. The compound berberine chloride showed the best MIC of 500μg/mL and 175μg/mL against gram-neg. and gram-pos. bacterial strains. The findings support that these natural compounds can be used as a backbone structure to develop a broad spectrum of antibacterial agents. In the experiment, the researchers used many compounds, for example, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (cas: 2086-83-1Reference of 2086-83-1).

9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (cas: 2086-83-1) belongs to isoquinoline derivatives. Quinoline is a catabolite of tryptophan, the basic structure of some antihypertensive drugs, such as the peripheral vasodilators prazosin and doxazosin. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3.Reference of 2086-83-1

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Constructing mesoporous Zr-doped SiO₂ onto efficient Z-scheme TiO₂/g-C₃N₄ heterojunction for antibiotic degradation via adsorption-photocatalysis and mechanism insight was written by Yu, Yutang;Hu, Xingyu;Li, Meng;Fang, Jianzhang;Leng, Chengmeng;Zhu, Ximiao;Xu, Weicheng;Qin, Jingjun;Yao, Lang;Liu, Zhang;Fang, Zhanqiang. And the article was included in Environmental Research in 2022.Computed Properties of C20H18NO4 This article mentions the following:

Novel modified-TiO₂/Zr-doped SiO₂/g-C₃N₄ ternary composite is fabricated via an in-situ grow of porous Zr-SiO₂ layer to TiO₂/g-C₃N₄ heterojunction, which exhibits well adsorption-photocatalytic performance under simulated solar light irradiation The nano-size mesoporous TiO₂ are dispersed on the lamellar g-C₃N₄, and the Zr-SiO₂ is in-situ fabricated onto the surface of g-C₃N₄ sheets. The adsorption occurs on the SiO₂ layers, and doping Zr element to SiO₂ enhances the adsorption of pollutants, while the photocatalytic reaction occurs on the valence band (VB) of TiO₂ and conduction band (CB) of g-C₃N₄, which gives reactive oxygen species of ·O^–2, h⁺, and ·OH for high efficient decomposition of antibiotics, i.e. berberine hydrochloride (98.11%), tetracycline (80.76%), and oxytetracycline (84.84%). The excellent adsorption capacity and Z-scheme photoinduced charge carrier migration behavior endowed the novel material with enhanced berberine hydrochloride (BH) removal in water, which approx. 2.5 and 3.8 folds than that of pure g-C₃N₄ and sole TiO₂, resp. Three degradation pathways are unraveled by LC-MS and theor. calculations Furthermore, the toxicity of intermediates was evaluated by the Toxicity Estimation Software Tool (T.E.S.T.), the result demonstrated a good application potential of M-TiO₂/Zr-SiO₂/g-C₃N₄ as an novel adsorptive photocatalyst. In the experiment, the researchers used many compounds, for example, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (cas: 2086-83-1Computed Properties of C20H18NO4).

9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium (cas: 2086-83-1) belongs to isoquinoline derivatives. Quinoline is a catabolite of tryptophan, the basic structure of some antihypertensive drugs, such as the peripheral vasodilators prazosin and doxazosin. The Pomeranz–Fritsch reaction provides a method for the preparation of isoquinoline. This reaction uses a benzaldehyde and aminoacetoaldehyde diethyl acetal, which in an acid medium react to form isoquinoline.Computed Properties of C20H18NO4

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Protective effect of fasudil hydrochloride against myocardial ischemia/reperfusion injury in patients subject to mitral valve replacement was written by Li, Qian;Chen, Lihua;Liu, Su;Shang, Yanhui;Yin, Chen;Liu, Linli. And the article was included in Zhonghua Shiyan Waike Zazhi in 2015.Safety of 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride This article mentions the following:

Objective To observe the protective effect of fasudil hydrochloride against myocardial ischemia/reperfusion injury in patients undergoing mitral valve replacement (MVR). Methods Forty patients who received MVR surgery were randomly divided into two groups: treatment group (T group, 20 cases, fasudil hydrochloride, 1 mg/kg) and control group (C group, 20 cases, normal saline). The concentrations of lactate dehydrogenase (LDH), Creatine kinase isoenzyme MB (CK-MB), and Cardiac troponin I (cTnI) in plasma were recorded and analyzed after induction of anesthesia (T1) and at 5 time points after cardiopulmonary bypass (CPB, T2-T5). Myocardial samples were selected to detect cell apoptosis rate. Results After CPB, LDH (U/L) in T group was significantly lower than in C group at T4 and T5 (486.05±39.52 vs. 528.13±47.65; 551.80±35.43 vs. 593.88±48.89; P<0.01). CK-MB (U/L) in T group was significantly lower than in C group at T3, T4, and T5 (78.39±8.27 vs.88.68±16.18, P<0.05; 62.46±6.10 vs. 72.37±11.85, P<0.01; 47.81±8.19 vs. 54.56±9.21, P<0.05). CTnI (μg/L) in T group was significantly lower than in C group at T3, T4, and T5 (4.40±1.12 vs. 5.80±1.51, 4.93±1.23 vs. 6.49±1.62, 3.99±1.20 vs. 5.80±1.30, P<0.01). The apoptosis rate of cardiomyocytes in T group was significantly lower than in C group [(7.48±2.18)% vs. (12.73±2.74)%, P<0.01]. Conclusion For patients undergoing MVR surgery with CPB, fasudil hydrochloride can decrease the levels of LDH, CK-MB and cTnI in plasma, inhibit apoptosis of cardiomyocytes and relieve myocardial ischemia/reperfusion injury, exerting the protective effects on myocardia. In the experiment, the researchers used many compounds, for example, 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride (cas: 105628-07-7Safety of 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride).

5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride (cas: 105628-07-7) belongs to isoquinoline derivatives. Quinoline is a catabolite of tryptophan, the basic structure of some antihypertensive drugs, such as the peripheral vasodilators prazosin and doxazosin. They are also used to make oil-soluble dyes, food colorants, pharmaceuticals, pH indicators and other organic compounds. Safety of 5-((1,4-Diazepan-1-yl)sulfonyl)isoquinoline hydrochloride

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Adsorption kinetics of dye molecules on polymer membrane filters was written by Kost, S. H.;Breuer, H. D.. And the article was included in Berichte der Bunsen-Gesellschaft in 1992.Quality Control of 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) This article mentions the following:

The kinetics of the adsorption of dye mols. on membrane filters made of cellulose nitrate were studied. To obtain thermodn. (activation) data the temperature was varied from 283 to 333 K. Because 1st or 2nd order kinetic laws cannot describe the exptl. results, 2 different theories are applied. In addition to a classical concept a new equation based on fractal theory is tested and proved to be suitable for adsorption data is tested. The fractal parameters, fractal dimension D_s, and fraction dimension D_f, are in excellent agreement with other fractal kinetics experiments In the experiment, the researchers used many compounds, for example, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) (cas: 316-41-6Quality Control of 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1)).

9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) (cas: 316-41-6) belongs to isoquinoline derivatives. Quinoline is a mancude organic heterobicyclic parent, an azaarene, an ortho-fused heteroarene and a member of isoquinolines. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3.Quality Control of 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1)

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Effects of neutral sulfate berberine on LPS-induced cardiomyocyte TNF-α secretion, abnormal calcium cycling, and cardiac dysfunction in rats was written by Yang, Jing;Wang, Hua-dong;Lu, Da-xiang;Wang, Yan-ping;Qi, Ren-bin;Li, Jing;Li, Fei;Li, Chu-jie. And the article was included in Acta Pharmacologica Sinica in 2006.Recommanded Product: 316-41-6 This article mentions the following:

Aim: To evaluate the effect of neutral sulfate berberine on cardiac function, tumor necrosis factor α (TNF-α) release, and intracellular calcium concentration ([Ca²⁺]_i) in cardiomyocytes exposed to lipopolysaccharide (LPS). Methods: Primary cultured rat cardiomyocytes were prepared from ventricles of 3 – 4-day old Sprague-Dawley rats. TNF-α concentrations in cell-conditioned media were measured by using a Quantikine ELISA kit, and cardiomyocyte [Ca²⁺]_i was measured by using Fura-2/AM. The isolated rat hearts were perfused in the Langendorff mode. Results: LPS at doses of 1, 5, 10, and 20 μg/mL markedly stimulated TNF-α secretion from cardiomyocytes, and neutral sulfate berberine inhibited LPS-induced TNF-α production Intracellular calcium concentration was significantly decreased after LPS stimulation for 1 h, and increased 2 h after LPS treatment. Pretreatment with neutral sulfate berberine reversed the LPS-induced [Ca²⁺]_i alterations, although neutral sulfate berberine did not inhibit a rapid increase in cardiomyocyte [Ca²⁺]_i induced by LPS. Perfusion of isolated hearts with LPS (100 μg/mL) for 20 min resulted in significantly impaired cardiac performance at 120 min after LPS challenge: the maximal rate of left ventricular pressure rise and fall (±dp/dt_max) decreased compared with the control. In contrast, ±dp/dt_max at 120 min in hearts perfused with neutral sulfate berberine (1 μmol/L) for 10 min followed by 20 min LPS (100 μg/mL) was greater than the corresponding value in the LPS group. Conclusion: Neutral sulfate berberine inhibits LPS-stimulated myocardial TNF-α production, impairs calcium cycling, and improves LPS-induced contractile dysfunction in intact heart. In the experiment, the researchers used many compounds, for example, 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) (cas: 316-41-6Recommanded Product: 316-41-6).

9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium sulfate(2:1) (cas: 316-41-6) belongs to isoquinoline derivatives. Isoquinoline is a structural isomer of quinoline, which have antiseptic, antipyretic and anti-cyclic properties, and can be used as antimalarial drugs and for the preparation of other antimalarial medicine. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3.Recommanded Product: 316-41-6

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Catalysis by palladium salts. XIII. The reductive carbonylation of nitroaromatic compounds to isocyanates with Pd^II and Pd⁰ complexes as homogeneous catalysts was written by Ugo, R.;Psaro, R.;Pizzotti, M.;Nardi, P.;Dossi, C.;Andreetta, A.;Capparella, G.. And the article was included in Journal of Organometallic Chemistry in 1991.Computed Properties of C18H14Cl2N2Pd This article mentions the following:

A study was made of the reductive carbonylation of 2,4-dinitrotoluene (2,4-DNT) to 2,4-diisocyanatotoluene (2,4-TDI) with catalysis either by [Pd(isoquinoline)₂Cl₂], in the presence of Fe₂O₃ and MoO₃ or of Fe₂(MoO₄)₃ as cocatalysts, or by Pd⁰ complexes without cocatalysts. In the case of catalytic systems based upon [Pd(isoquinoline)₂Cl₂] the reaction was carried out at about 200 °C and under 200 atm of CO to produce 2,4-TDI with high conversions and acceptable selectivities. With Pd⁰ complexes as catalysts good conversions were achieved at much lower temperatures (100-120 °C) but with a low selectivity when a higher pressure of CO was used (300 atm or more). An investigation of the reductive carbonylation of PhNO₂ to PhNCO as a model system, together with a study of the thermal stability of [Pd(isoquinoline)₂Cl₂] in the presence of CO, provided evidence that the actual active catalyst was a reduced (probably zerovalent) form of palladium stabilized by the nitroarom. substrate or by some of the products from it as ligands. In the experiment, the researchers used many compounds, for example, Dichlorobis(isoquinoline)-Palladium (cas: 23807-51-4Computed Properties of C18H14Cl2N2Pd).

Dichlorobis(isoquinoline)-Palladium (cas: 23807-51-4) belongs to isoquinoline derivatives. Being an analog of pyridine, isoquinoline is a weak base, with a pKa of 5.14. Most traditional methods of generating isoquinoline do so via oxidative aromatization of dihydro- or tetrahydro-isoquinolines, usually offering some environmental or economic advantage.Computed Properties of C18H14Cl2N2Pd

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Experimental and Computational Studies on the Formation of Three para-Benzyne Analogues in the Gas Phase was written by Kirkpatrick, Lindsey M.;Vinueza, Nelson R.;Jankiewicz, Bartlomiej J.;Gallardo, Vanessa A.;Archibold, Enada F.;Nash, John J.;Kenttaemaa, Hilkka I.. And the article was included in Chemistry – A European Journal in 2013.Electric Literature of C9H6IN This article mentions the following:

Exptl. and computational studies on the formation of three gaseous, pos.-charged para-benzyne analogs in a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer are reported. The structures of the cations were examined by isolating them and allowing them to react with various neutral reagents whose reactions with aromatic carbon-centered σ-type mono- and biradicals are well understood. Cleavage of two iodine-carbon bonds in N-deuterated 1,4-diiodoisoquinolinium cation by collision-activated dissociation (CAD) produced a long-lived cation that showed nonradical reactivity, which was unexpected for a para-benzyne. However, the reactivity closely resembles that of an isomeric enediyne, N-deuterated 2-ethynylbenzonitrilium cation. A theor. study on possible rearrangement reactions occurring during CAD revealed that the cation formed upon the first iodine atom loss undergoes ring-opening before the second iodine atom loss to form an enediyne instead of a para-benzyne. Similar results were obtained for the 5,8-didehydroisoquinolinium cation and the 2,5-didehydropyridinium cation. The findings for the 5,8-didehydroisoquinolinium cation are in contradiction with an earlier report on this cation. The cation described in the literature was regenerated by using the literature method and demonstrated to be the isomeric 5,7-didehydro-isoquinolinium cation and not the expected 5,8-isomer. In the experiment, the researchers used many compounds, for example, 4-Iodoisoquinoline (cas: 55270-33-2Electric Literature of C9H6IN).

4-Iodoisoquinoline (cas: 55270-33-2) belongs to isoquinoline derivatives. Although isoquinoline derivatives can be synthesized by several methods, relatively few direct methods deliver the unsubstituted isoquinoline. Other industrial applications include their use as corrosion inhibitors, preservatives, and as solvents for resins and terpenes.Electric Literature of C9H6IN

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

On the synthesis of arylpropiolic acids and investigations towards the formation of vinyl chlorides by HCl addition during esterification reactions was written by Hapke, Marko;Kral, Karolin;Spannenberg, Anke. And the article was included in Synthesis in 2011.Related Products of 55270-33-2 This article mentions the following:

The synthesis protocol for the preparation of different arylpropiolic acids using the Negishi reaction and the addition of HCl to the alkyne moiety of these acids in subsequent esterification reactions using SOCl₂ was examined In the experiment, the researchers used many compounds, for example, 4-Iodoisoquinoline (cas: 55270-33-2Related Products of 55270-33-2).

4-Iodoisoquinoline (cas: 55270-33-2) belongs to isoquinoline derivatives. The isoquinoline structure occurs in a considerable number of alkaloids in widely separated plant families. It protonates to form salts upon treatment with strong acids, such as HCl. It forms adducts with Lewis acids, such as BF3.Related Products of 55270-33-2

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Structural Refinement of Ladder-Type Perylenediimide Dimers: A Classical Tale of Conformational Dynamics was written by Myahkostupov, Mykhaylo;Prusakova, Valentina;Oblinsky, Daniel G.;Scholes, Gregory D.;Castellano, Felix N.. And the article was included in Journal of Organic Chemistry in 2013.Quality Control of 2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone This article mentions the following:

The authors synthesized and thoroughly characterized two representative ladder-type acetylene-bridged perylenediimide dimers bearing long alkyl chain solubilizing groups, bis[1-ethynyl-N,N’-bis(1-hexylheptyl)-perylene-3,4:9,10-tetracarboxylic diimide] ([PDICC]₂, 1) and 1,1′-ethynyl-bis[N,N’-bis(1-hexylheptyl)-perylene-3,4:9,10-tetracarboxylic diimide] ([PDI]₂CC, 2). In these dimeric PDI mols., NMR-based structural characterization became nontrivial because severe ¹H spectral broadening and greater than expected numbers of observed ¹³C resonances substantially complicated the interpretation of traditional 1-dimensional spectra. However, rational two-dimensional NMR approaches based on both homo- and heteronuclear couplings (¹H-¹H COSY; ¹H-¹³C HSQC), in conjunction with high-level structural DFT calculations (GIAO/B3LYP/6-31G(d,p)/PCM, chloroform), were readily applied to these structures, producing well-defined anal. characterization, and the associated methodol. is described. Also, from dynamic NMR experiments, both 1 and 2 exist in a perylene-centered conformational dynamic equilibrium (ΔG‡ = 13-17 kcal/mol), which primarily caused the observed ambiguities in conventional 1-dimensional spectra. In the experiment, the researchers used many compounds, for example, 2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone (cas: 110590-84-6Quality Control of 2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone).

2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone (cas: 110590-84-6) belongs to isoquinoline derivatives. Isoquinoline is a structural isomer of quinoline, which have antiseptic, antipyretic and anti-cyclic properties, and can be used as antimalarial drugs and for the preparation of other antimalarial medicine. Most traditional methods of generating isoquinoline do so via oxidative aromatization of dihydro- or tetrahydro-isoquinolines, usually offering some environmental or economic advantage.Quality Control of 2,9-Di(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Synthesis and study of substituted amides of isoquinoline-3- and isoquinoline-1-carboxylic acids as potential anticonvulsants was written by Strupinska, Marzanna;Rostafinska-Suchar, Grazyna;Jakubowicz, Bartlomiej;Klimkiewicz, Paulina;Lal, Ewelina;Oczkowski, Mateusz;Prochniak, Ewa;Pirianowicz-Chaber, Elzbieta;Mazurek, Aleksander P.. And the article was included in Acta Poloniae Pharmaceutica in 2017.Reference of 486-73-7 This article mentions the following:

Previously obtained benzylamides of isoquinoline-3-carboxylic acids and isoquinoline-1-carboxylic acids exhibited anticonvulsant activity. In search for more effective anticonvulsants, a series of amides of isoquinoline- 3- and isoquinoline-1-carboxylic acids have been synthesized (1-9). The obtained compounds were evaluated qual. for their anticonvulsant activity in the maximal electroshock seizure test (MES test), minimal clonic seizure test (6Hz test) and s.c. metrazol seizure threshold test (s.c. MET test) as well as in the rotorod neurotoxicity test (Tox test). One selected compound was tested quant. in 6Hz-test in mice after i.p. administration and showed activity ED50 = 385.69 mg/kg and TD50 > 600 mg/kg (1). In the experiment, the researchers used many compounds, for example, Isoquinoline-1-carboxylic acid (cas: 486-73-7Reference of 486-73-7).

Isoquinoline-1-carboxylic acid (cas: 486-73-7) belongs to isoquinoline derivatives. Although isoquinoline derivatives can be synthesized by several methods, relatively few direct methods deliver the unsubstituted isoquinoline. Lewis acid activation and nucleophilic attack can produce multiple regioisomers in quinolines and pyridines; isoquinolines generally only undergo attack at the 1-position.Reference of 486-73-7

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem