Tag: M.W=0-100

Related Products of 625-82-1. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Polyoxovanadate-iodobodipy supramolecular assemblies: new agents for high efficiency cancer photochemotherapy. Author is Gu, Yaqi; Li, Qi; Huang, Yichao; Zhu, Yingting; Wei, Yongge; Ruhlmann, Laurent.

Two novel polyoxovanadate-iodoBodipy supramol. assemblies, named as (2I-BDP-C6)2V6 and (2I-BDP-C6)3V10, were first synthesized by the self-assembly of anionic hexavanadate and decavanadate with cationic iodoBodipy for photochemotherapy, resp. The mechanisms for synergistic photochemotherapy of the anion-cation pairs were determined In particular, (2I-BDP-C6)3V10 can effectively kill liver cancer cells (HepG2) by synergetic chemotherapy as well as photodynamic therapy.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2,4-Dimethyl-1H-pyrrole(SMILESS: CC1=CNC(C)=C1,cas:625-82-1) is researched.Name: 1H-Pyrazole-4-sulfonyl chloride. The article 《Reaction-based highly selective and sensitive monomer/polymer probes with Schiff base groups for the detection of Hg2+ and Fe3+ ions》 in relation to this compound, is published in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy. Let’s take a look at the latest research on this compound (cas:625-82-1).

It is urgent and important to detect heavy metals in environments. In this work, novel reaction-based fluorescent probes were obtained by Schiff base reaction. The probes with Schiff base moiety (-C=N-) undergo irreversible hydrolysis in the presence of Hg2+ and Fe3+. They exhibit perfect high selectivity and sensitivity to Hg2+and Fe3+ ions. Upon the addition of Hg2+and Fe3+, fluorescence intensity of the probes increased notably. And the color of the probe changes from brown to bright green under UV light, which can realize “”naked eye”” detection. In addition, Schiff base group was introduced into polyurethane chain through condensation polymerization reaction. As expected, the fluorescent polyurethane probe (P2) maintained the detection performance of its original small mols. (BSD). Even more P2 showed a more sensitive detection effect than BSD, and the detection limits of P2 for Hg2+ and Fe3+ reach 0.19 μM and 0.21 μM, resp. It indicates that Reaction-based probes could be a useful tool for the detection of Hg2+ and Fe3+.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Application of 948552-36-1. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about The first PdO nanoparticle catalyzed one pot synthesis of propargylamine through A3-coupling of an aldehyde, alkyne and amine. Author is Krishnaveni, T.; Kaveri, M. V.; Kadirvelu, K..

Palladium(II) oxide (PdO) nanoparticles (Nps) were prepared by an environmentally benign hydrothermal method with a new capping agent quercetin. The nanoparticles were characterized using FT-IR, powder XRD, TG-DTA, SEM, EDS, HR-TEM, SAED and surface area anal. (BET) to reveal the formation, crystalline structure, thermal stability, morphol., elemental composition, size, crystalline nature and surface nature, resp. Quercetin acted well as a capping agent and could yield PdO nanoparticles with a 10-15 nm size. For the first time nanosize PdO was employed as a heterogeneous catalyst for the preparation of therapeutically important propargylamines through A3 coupling reactions. A very small amount of catalyst (10 mg) was enough to complete the reaction. The isolated yields of the products were satisfying and the proposed catalyst could catalyze the reaction in the presence of a wide range of reactants. The turn over number (TON) was calculated to be high with a value of 10 625 h-1 and the turn over frequency (TOF) was also found to be excellent. The formation of propargylamines was confirmed by GC-MS anal. The PdO catalyst was recyclable and reusable for 7 successive catalytic cycles without a significant loss in yield.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Some aldehydes of the pyrazole and 1,2,3-triazole series》. Authors are Huttel, Rudolf.The article about the compound:1H-Pyrazole-5-carbaldehydecas:948552-36-1,SMILESS:O=CC1=CC=NN1).SDS of cas: 948552-36-1. Through the article, more information about this compound (cas:948552-36-1) is conveyed.

In the formation of pyrazoles and isoxazoles from CHCCH(OEt)2 with hydrazines and hydroxylamines (Claisen, Ber. 36, 3664(1903)) it can probably be safely assumed that the aldehyde group reacts first and addition at the triple bond then takes place; in the reaction between PhCCCHO and NH2OH the oxime was isolated as an intermediate product which was isomerized to 3-phenylisoxazole only on addition of a drop of alkali. The reaction of CHCCHO (I) with substances which attack only the triple bond therefore seemed of interest. It was thought that by suitable choice of the reactants it might be possible to obtain heterocyclic aldehydes of types hitherto for the most part unknown. As a matter of fact, aliphatic diazo compounds, NH3 and aryl azides react normally at the triple bond of I and give the desired products. CH2N2 in ether dropped into I, also in ether, is immediately decolorized without evolution of N; the resulting product, C4H4ON2 (II), shows aldehyde properties and on oxidation with AgOH gives exclusively 3-pyrazolecarboxylic acid, m. 210-11°. II is therefore 3-pyrazolecarboxaldehyde. N2CHCO2Et similarly gives 5-carbethoxy-3-pyrazolecarboxaldehyde (III). These results show that the v. Auwers and Ungemach (C. A. 27, 5327) rule for the addition of aliphatic diazo compounds to RCCCO2Et also holds for the aldehydes when R = H. Addition of HN3 to I smoothly yields 2,1,3-triazole-4-carboxaldehyde (IV). PhN3 gives 1-phenyl-1,2,3-triazole-4-carboxaldehyde (V), identified by oxidation with AgNO3-NaOH to the acid (VI), m. 150°. The new aldehydes are solid, odorless and colorless substances, subliming in vacuo below their m. ps. and showing no tendency to autoxidize. They are soluble in 2 N NaOH, some even in 2 N Na2CO3, and can be recovered unchanged. This is the most interesting property of the compounds, which otherwise do not behave in any unusual manner. It is naturally observable only in the difficultly soluble II, III and V, but that the water-soluble IV also dissolves in alkali with salt formation is shown by the fact that it cannot be extracted from the NaOH or even Na2CO3 solution with ether. Since V has no H on a N atom, it must be the aldehyde group of these compounds which is responsible for the salt formation. The question of their structure in alk. solution is reserved for a later investigation. II and III are stable toward 2 N NaOH for a long time and can be recovered quantitatively. III is also stable for a short time but on longer standing in the alk. solution the ester group is saponified and the free acid is obtained. V is also an exception; it can be recovered unchanged only if the alk. solution is immediately neutralized; otherwise, in 10-20 min. the apparently greatly “”strained”” alkali salt stabilizes itself by disproportionation to VI and 1-phenyl-4-hydroxymethyl-1,2,3-pyrazole (VII), insoluble in alkali. Acrolein also immediately decolorizes CH2N2 without evolution of N and in ice there seps. a colorless, flocculent (often partly crystalline) precipitate which on warming to room temperature or treatment with acids or alkalies is immediately altered (probably isomerized), turning yellow or red. It has not as yet been possible to verify the assumption that it is a pyrazolinecarboxaldehyde; oxidation gave neg. results; addition of carbonyl reagents prevented the appearance of color on warming to room temperature but no crystalline product could be isolated. I b720 53.5-5°; it dissolves in water and is clear in all organic solvents except the aromatic hydrocarbons. It is not advisable to carry out reactions with it in benzene; thus, with PhN3 it gave only 33% V as against 90% in ether. The freshly prepared, distilled, colorless I turns yellow quite rapidly at room temperature and on long standing partly polymerizes and becomes dark brown. It also partly polymerizes in water, with deposition of an insoluble brown powder. When refluxed in water it forms a brown flocculent deposit in 10 min. and in 2 hrs. its odor is hardly perceptible. Acids and weak alkalies (NH3, Na2CO3) materially accelerate the polymerization. Whereas NaOH in water gives C2H2 and HCO2Na, in acetone or cyclohexane it forms a crystalline di-Na salt of a trimer of I, leaflets easily soluble in water, reprecipitated by alc., gives a red-violet FeCl3 reaction, reduces AgNO3-NH3, gives on decomposition with H2SO4 and exhaustive extraction with ether the free trimer, C9H8O4 (= 3 I + H2O), prismatic needles from acetone, turns brown 135°, m. 141°, reduces Tollens reagent and gives a violet-red FeCl3 reaction but no yellow color with C(NO2)4. II (84% yield), m. 149-50° from water, reddens fuchsin-SO2, reduces NH3-AgNO3, gives a neg. FeCl3 reaction, takes up Br in AcOH only slowly, reacts neutral to litmus in hot water. III (86%), m. 135° after crystallization from alc. or sublimation in vacuo (at 130°); free acid, m. 245° (decomposition), oxidized by boiling HNO3 (1:1) to 3,5-pyrazoledicarboxylic acid, m. 289° (decomposition). IV (90% crude and 78% pure, sublimed product), m. 141-2° from water or alc. V (75% from I and 1 mol. PhN3 refluxed 6 hrs. in CHCl3), m. 99-100° from benzene-petr. ether or water. VII (250 mg. from 500 mg. V allowed to stand 4 hrs. in 10 cc. of 2 N NaOH), m. 110-11° from water.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Electron-Withdrawing Boron Dipyrromethene Dyes As Visible Light Absorber/Sensitizers on Semiconductor Oxide Surfaces, published in 2020-02-12, which mentions a compound: 625-82-1, Name is 2,4-Dimethyl-1H-pyrrole, Molecular C6H9N, Electric Literature of C6H9N.

The synthesis, characterization, and electrochem. and photophys. properties of the phosphonate-derivatized carbazole (CBZ) and boron dipyrromethene (BODIPY) chromophores in the dyes, BODIPY(CBZ)2PO3H2 (8) and BODIPY(Tol)2PO3H2 (7), are described. The oxide-bound dyes have been explored as light absorbers in dye-sensitized photoelectrosynthesis cell (DSPEC) applications. The BODIPY-CBZ phosphonate ester (6) features a broad, intense UV-visible absorption spectrum with absorptions at 297 and 650 nm that arise from mixed transitions at the CBZ and BODIPY units. Electrochem. measurements on BODIPY(CBZ)2Br (4) in 0.1 M [nBu4N][PF6] in dichloromethane, vs normal hydrogen electrode (NHE), reveal reversible oxidations at 1.19 and 1.41 V and a reversible reduction at -0.59 V. On indium tin oxide (ITO) and TiO2, a reversible one-electron oxidation appears for 7 at 0.86 and 0.90 V vs NHE in dichloromethane, resp., which demonstrates the redox stability on metal oxide surfaces. The results of nanosecond transient absorption measurements on SnO2/TiO2 electrodes provide direct evidence for excited-state electron injection into the conduction band of TiO2 following 590 nm excitation. A longer lifetime for 8+ compared to 7+ is consistent with extensive intramol. charge separation between the CBZ and BODIPY units on the surface. Photoelectrochem. studies on 8 on a SnO2/TiO2 photoanode resulted in sustained photocurrents with current maxima of ∼200 μA/cm2 with hydroquinone added as a reductant under 1 sun (AM1.5 100 mW·cm-2) illumination at pH 4.5 in 0.1 M acetate buffer and 0.4 M LiClO4. On mixed SnO2/TiO2 electrode surfaces, with the added catalyst [Ru(Mebimpy)((4,4′-(OH)2PO-CH2)2bpy)(OH2)]2+ and chromophores 7 and 8, addition of 0.1 M benzyl alc. resulted in sustained photocurrents of 12 and 35 μA/cm2, consistent with oxidation to benzaldehyde.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Computed Properties of C4H4N2O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1H-Pyrazole-5-carbaldehyde, is researched, Molecular C4H4N2O, CAS is 948552-36-1, about Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Author is Barsanti, Paul A.; Aversa, Robert J.; Jin, Xianming; Pan, Yue; Lu, Yipin; Elling, Robert; Jain, Rama; Knapp, Mark; Lan, Jiong; Lin, Xiaodong; Rudewicz, Patrick; Sim, Janet; Taricani, Lorena; Thomas, George; Xiao, Linda; Yue, Qin.

A saturation strategy focused on improving the selectivity and physicochem. properties of ATR inhibitor HTS hit I led to a novel series of highly potent and selective tetrahydropyrazolo[1,5-a]pyrazines, e.g. II. Use of PI3Kα mutants as ATR crystal structure surrogates was instrumental in providing cocrystal structures to guide the medicinal chem. designs. Detailed DMPK studies involving cyanide and GSH as trapping agents during microsomal incubations, in addition to deuterium-labeled compounds as mechanistic probes uncovered the mol. basis for the observed CYP3A4 TDI in the series.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Synthesis and photophysical properties of tumor-targeted water-soluble BODIPY photosensitizers for photodynamic therapy, published in 2020, which mentions a compound: 625-82-1, mainly applied to BODIPY photosensitizer photophys property photodynamic therapy antitumor; BODIPY; click reaction; lactose; photodynamic therapy; photosensitizer, Safety of 2,4-Dimethyl-1H-pyrrole.

The synthesis of three water-soluble lactose-modified 4,4-difluoro-4-bora-3a,4a-diaza-sindacene (BODIPY)-based photosensitizers with tumor-targeting capabilities is reported, including an investigation into their photodynamic therapeutic activity on three distinct cancer cell lines (human hepatoma Huh7, cervical cancer HeLa, and breast cancer MCF-7 cell lines). The halogenated BODIPY dyes exhibited a decreased fluorescence quantum yield compared to their non-halogenated counterpart, and facilitated the efficient generation of singlet oxygen species. The synthesized dyes exhibited low cytotoxicities in the dark and high photodynamic therapeutic capabilities against the treated cancer cell lines following irradiation at 530 nm. Moreover, the incorporation of lactose moieties led to an enhanced cellular uptake of the BODIPY dyes. Collectively, the results presented herein provide promising insights for the development of photodynamic therapeutic agents for cancer treatment.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, European Journal of Organic Chemistry called Molecular Structure, Intramolecular Hydrogen Bonding, Solvent-Induced Isomerization, and Tautomerism in Azolylmethylidene Derivatives of 2-Indanone, Author is Sigalov, Mark V.; Shainyan, Bagrat A.; Chipanina, Nina N.; Oznobikhina, Larisa P., which mentions a compound: 948552-36-1, SMILESS is O=CC1=CC=NN1, Molecular C4H4N2O, Application of 948552-36-1.

Bis adducts of 2-indanone with 1H-pyrrole-2-carbaldehyde, 1H-imidazole-2-carbaldehyde, 1H-imidazole-5-carbaldehyde, and 1H-indazole-3-carbaldehyde 3-6 were synthesized and the intertwined processes of tautomeric NH proton transfer, intra- and intermol. H-bond rupture and formation, and Z/Z, Z/E, and E/E-isomerization were studied by NMR and FTIR spectroscopy and by conducting DFT calculations Pyrrole derivative 3 both in chloroform and in DMSO exists exclusively as the Z,Z-isomer stabilized by two intramol. N-H···O hydrogen bonds. For derivatives 4-6, the isomeric composition depends on the solvent so that in polar media such as DMSO and pyridine the Z,E- and E,E-isomers predominate. The driving force for isomerization of 4-6 is stabilization of the Z,E- and E,E-isomers in basic polar solvents due to formation of intermol. NH···B and intramol. C-H···N hydrogen bonds. The suggested mechanism of isomerization includes proton transfer from nitrogen to oxygen in the Z-moiety followed by rotation about the C-C bond in the formed enol and isomerization of the latter to the E-moiety of the ketone tautomer.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Formula: C6H9N. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2,4-Dimethyl-1H-pyrrole, is researched, Molecular C6H9N, CAS is 625-82-1, about Molecular Design of Highly Efficient Heavy-Atom-Free Triplet BODIPY Derivatives for Photodynamic Therapy and Bioimaging. Author is Nguyen, Van-Nghia; Yim, Yubin; Kim, Sangin; Ryu, Bokyeong; Swamy, K. M. K.; Kim, Gyoungmi; Kwon, Nahyun; Kim, C-Yoon; Park, Sungnam; Yoon, Juyoung.

Novel BODIPY photosensitizers were developed for imaging-guided photodynamic therapy. The introduction of a strong electron donor to the BODIPY core through a Ph linker combined with the twisted arrangement between the donor and the BODIPY acceptor is essential for reducing the energy gap between the lowest singlet excited state and the lowest triplet state (ΔEST), leading to a significant enhancement in the intersystem crossing (ISC) of the BODIPYs. Remarkably, the BDP-5 with the smallest ΔEST (∼0.44 eV) exhibited excellent singlet oxygen generation capabilities in both organic and aqueous solutions BDP-5 also displayed bright emission in the far-red/near-IR region in the condensed states. More importantly, both in vitro and in vivo studies demonstrated that BDP-5 NPs displayed a high potential for photodynamic cancer therapy and bioimaging.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 625-82-1, is researched, Molecular C6H9N, about Heavy atom substituted near-infrared BODIPY nanoparticles for photodynamic therapy, the main research direction is heavy atom IR BODIPY nanoparticle photodynamic therapy.Synthetic Route of C6H9N.

Photodynamic therapy (PDT) is a promising alternative to cancer therapy for its non-invasive advantage. The rational design of ideal photosensitizers (PSs) is especially significant in PDT. Herein, we synthesized a diiodo-substituted BODIPY (SNBDP) with near-IR (NIR) region absorption and fluorescence emission by Knoevenagel condensation reaction. The SNBDP nanoparticles (NPs) were prepared by the nanopptn. method wrapped by poloxamer. As-prepared SNBDP NPs exhibited robust water stability and notable photostability. After cellular endocytosis, the NPs could elicit excellent cancer-killing effects with a low half maximal inhibitory concentration (10.55μM for HeLa and 13.46μM for A549 cells) due to good singlet oxygen quantum yield (ΦΔ = 40%) of PS derived from the heavy atom effect. Moreover, the favorable cancer cell inhibition efficacy could efficiently reduce the dark toxicity of drug. We believe this ingenious design could provide a reference value for the exploration of optimal PS for PDT.

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Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem