Category: 4897-25-0

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, Chemistry of Heterocyclic Compounds (New York, NY, United States) called Nucleophilic substitution reactions of 1-methyl-4,5-dinitroimidazole with aqueous ammonia or sodium azide, Author is Lian, Peng-Bao; Guo, Xiao-Jie; Wang, Jian-Long; Chen, Li-Zhen; Shen, Fan-Fan, which mentions a compound: 4897-25-0, SMILESS is C1=NC(=C(Cl)[N]1C)[N+]([O-])=O, Molecular C4H4ClN3O2, Synthetic Route of C4H4ClN3O2.

In this work, 5-amino-1-methyl-4-nitroimidazole was synthesized by amination reaction of 1-methyl-4,5-dinitroimidazole with aqueous ammonia in 95% yield. Meanwhile, one of its isomers, 4-amino-1-methyl-5-nitroimidazole as byproduct was obtained from the filtrate. Furthermore, nucleophilic substitution reaction of 1-methyl-4,5-dinitroimidazole with sodium azide gave 5-azido-1-methyl-4-nitroimidazole in 98% yield. The three compounds were characterized by IR, 1H and 13C NMR spectra, m.ps., and elemental anal. The structure of 4-amino-1-methyl-5-nitroimidazole was further confirmed by single crystal X-ray diffraction. These reactions indicate that the nitro group at position 5 of 1-methyl-4,5-dinitroimidazole is quite unstable, as well as partial substitution of nitro group at position 4 also occurred in aqueous ammonia. Only one nitro group of the two is involved in nucleophilic substitution reaction in each case.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Pyrrolopyrimidine nucleosides. XIV. The synthesis of 7-(β-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine-4-selone and certain related derivatives.Application of 4897-25-0.

Treatment of 4-chloro-7-(β-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidine with selenourea in H2O containing HCO2H at steam bath temperature gave I, which reacted with alkylhalides to give the corresponding II (R = Me, CH2CH:CH2, CH2Ph, CH2C6H4NO2-p, 1-methyl-4-nitroimidazol-5-yl). Thus, I was treated with MeI at room temperature for 1 hr to give crystalline II (R = Me).

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Studies on five-membered heterocycles. I. Synthesis of nitrochloroimidazoles.Synthetic Route of C4H4ClN3O2.

Chloronitroimidazoles I (R = H, R1 = H, Me; R = Me, R1 = H) were obtained in 70-5% yields by heating the corresponding dinitroimidazole with POCl3 in DMF 2-6 h at 80-5°. Heating II (R = H, X = NO2) with POCl3 2 h gave 68% II (R = H, X = Cl); II (R = Me; X = NO2) gave 60% 4-chloro-1-methyl-2-nitroimidazole.

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Related Products of 4897-25-0. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Molecular Mechanisms for CFIm-Mediated Regulation of mRNA Alternative Polyadenylation. Author is Zhu, Yong; Wang, Xiuye; Forouzmand, Elmira; Jeong, Joshua; Qiao, Feng; Sowd, Gregory A.; Engelman, Alan N.; Xie, Xiaohui; Hertel, Klemens J.; Shi, Yongsheng.

Alternative mRNA processing is a critical mechanism for proteome expansion and gene regulation in higher eukaryotes. The SR family proteins play important roles in splicing regulation. Intriguingly, mammalian genomes encode many poorly characterized SR-like proteins, including subunits of the mRNA 3′-processing factor CFIm, CFIm68 and CFIm59. Here we demonstrate that CFIm functions as an enhancer-dependent activator of mRNA 3′ processing. CFIm regulates global alternative polyadenylation (APA) by specifically binding and activating enhancer-containing poly(A) sites (PASs). Importantly, the CFIm activator functions are mediated by the arginine-serine repeat (RS) domains of CFIm68/59, which bind specifically to an RS-like region in the CPSF subunit Fip1, and this interaction is inhibited by CFIm68/59 hyper-phosphorylation. The remarkable functional similarities between CFIm and SR proteins suggest that interactions between RS-like domains in regulatory and core factors may provide a common activation mechanism for mRNA 3′ processing, splicing, and potentially other steps in RNA metabolism

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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 A new look into the quantum chemical and spectroscopic investigations of 5-chloro-1-methyl-4-nitroimidazole, published in 2014-05-05, which mentions a compound: 4897-25-0, mainly applied to chloromethylnitroimidazole IR Raman vibrational assignment DFT; 5-Chloro-1-methyl-4-nitroimidazole; DFT; FT-Raman; FTIR; Fukui functions; NMR, Recommanded Product: 4897-25-0.

Optimized geometrical structural parameters, harmonic vibrational frequencies, natural bonding orbital anal. and frontier MOs are determined by B3LYP and B3PW91 methods. The exact geometry of 5-chloro-1-methyl-4-nitroimidazole is determined through conformational anal. The exptl. observed IR and Raman bands have been assigned and analyzed. The 13C and 1H NMR chem. shifts of the compound are investigated. The total electron d. and mol. electrostatic potentials are determined The electrostatic potential (electron + nuclei) distribution, mol. shape, size and dipole moments of the mol. have been displayed. The energies of the frontier MOs and LUMO-HOMO energy gap are measured. The possible electronic transitions of the mol. are studied by TD-DFT method along with the UV-Visible spectrum. The structure-activity relationship of the compound is also investigated by conceptual DFT methods.

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Related Products of 4897-25-0. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Rapid-mix studies on the anomalous radiosensitization of mammalian cells by 5-chloro-1-methyl-4-nitroimidazole. Author is Watts, M. E.; Hodgkiss, R. J.; Sehmi, D. S.; Woodcock, M..

5-Chloro-1-methyl-4-nitroimidazole (I) [4897-25-0] (0.1 mmol/dm3) gave a sensitizer enhancement ratio (SER) of 1.7 when irradiated under steady-state conditions with 250 kVp x-rays (dose rate 3.93 Gy/min) using V79 379A cells in Eagles MEM with or without 15% fetal calf serum. Irradiation with 25 MeV electrons in a rapid-mix apparatus with 0.15 mmol I/dm3 flowing through both tubes gave an SER of 1.5 in hypoxia. No change in SER was observed when air or O-saturated I solution (0.15 mmol/dm3) in Eagle’s MEM was added to cells irradiated in hypoxic I solution (0.15 mmol/dm3) 17 ms after irradiation was complete. The fact that adding O to prevent dehalogenation of the radical did not reduce the SER suggested that elimination of the ortho-substituted ‘leaving group’ is not responsible for the observed, anomalously high efficiency.

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Electric Literature of C4H4ClN3O2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Mutational analysis of human glutathione transferase A2-2 identifies structural elements supporting high activity with the prodrug azathioprine. Author is Moden, Olof; Zhang, Wei; Mannervik, Bengt.

Glutathione transferase (GST) A2-2 is the human enzyme displaying the highest catalytic activity with the prodrug azathioprine (Aza). The reaction releases pharmacol. active 6-mercaptopurine by displacing the imidazole moiety from the Aza mol. The GST-catalyzed reaction is of medical significance, since high rates of Aza activation may lead to adverse side effects in treated patients. The present study involves structure-activity relationships in GST A2-2 variants. Chimeric GSTs were previously generated by DNA shuffling and two peptide segments, one N-terminal and one C-terminal, were identified as primary determinants of Aza activity. The segments contain several residues of the substrate-binding H-site and their significance for supporting high Aza activity was investigated. Substitution of the corresponding two small regions in the low-activity human GST A3-3 or rat GST A3-3 by the human GST A2-2 segments generated chimeras with ∼10-fold enhanced Aza activity. The H-site residues Met208 and Leu213 in the C-terminal segment of GST A2-2 were mutated to produce a library with all possible residue combinations. At a calculated 93% library coverage, all of the 1880 mutants examined showed wild-type or decreased Aza activity, even though some retained activities with alternative substrates, further emphasizing the importance of this region for the targeted activity.

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Safety of 5-Chloro-1-methyl-4-nitroimidazole. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about A revisited structure for nitrosoprodenafil from NMR, mass spectrometry, X-ray and hydrolysis data. Author is Martino, Robert; Menendez, Christophe; Balayssac, Stephane; Martins-Froment, Nathalie; Lherbet, Christian; Couderc, Francois; Gilard, Veronique; Malet-Martino, Myriam.

The sildenafil analog adulterant previously identified as a nitroso derivative (nitrosoprodenafil) in a dietary supplement (DS) marketed to increase sexual performance and sold in Europe in the early 2010’s is the same as that found in the same type of DS available in Japan whose structure was established as a nitro derivative (mutaprodenafil or nitroprodenafil). Indeed, the compound isolated from the Man Power DS has identical UV, IR, NMR and MS spectroscopic characteristics and hydrolysis behavior than nitrosoprode-nafil. By revisiting its NMR assignments and MS and MS/MS data interpretation, it is demonstrated that the compound is actually a nitrothioimidazole-methisosildenafil hybrid, i.e. nitroprodenafil, whose structure is unequivocally confirmed by X-ray crystallog. and synthesis experiments Because the product is converted to methisosildenafil by hydrolysis, it is named nitropromethisosildenafil.

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about Non-protein thiols and cellular response to drugs and radiation.Name: 5-Chloro-1-methyl-4-nitroimidazole.

The effects of misonidazole and other radiosensitizers on cellular nonprotein thiol (NPSH) levels were studied in Ehrlich ascites tumor and V-79 cells. The relative NPSH remaining after incubation under aerobic conditions with 0.1 mM drug for 0.5 h at 37° ranged from 0.01 for chlorodinitrobenzene to 0.88 for BSH (a sulfonylnitroimidazole) in tumor cells and from 0.01 for chlorodinitrobenzene to 0.82 for SR 2555 in V-79 cells. Possible mechanisms for NPSH removal are also discussed. Studies on compound reactivity with GSH in buffered solution showed 38087 (nitroimidazole derivative) to be most reactive, followed by MJL-1-191-VII, SK 21981, (both sulfamylnitroimidazoles), and CMNI (chloromethylnitroimidazole). The radiosensitizing effectiveness of dimethyl fumarate (DMF) used alone or in combination with misonidazole was also studied in hypoxic V-79 cells. DMF had little effect on the radiation response of hypoxic cells but the combination of DMF and misonidazole was more effective than either drug alone.

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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: 4897-25-0, is researched, Molecular C4H4ClN3O2, about Investigation of molecular structure, vibrational, electronic, NMR and NBO analysis of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI) using ab initio HF and DFT calculations, the main research direction is mol structure vibrational electronic NMR NBO analysis chloromethylnitroimidazole.Quality Control of 5-Chloro-1-methyl-4-nitroimidazole.

This study represents the vibrational, electronic, NMR, NLO and structural aspects of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI). A detailed interpretation of the FT-IR, FT-Raman, UV and NMR spectra were reported. Theor. calculations were performed by ab initio HF and d. functional theory (DFT)/B3LYP method using 6-311+G(d,p) basis sets. The electronic properties was also studied and the most prominent transition corresponds to π → π*. The lower frontier orbital gap of CMNI explains the eventual charge transfer interaction taking place within the mol. The stability and charge delocalization of the mol. was studied by natural bond orbital (NBO) anal. CMNI exhibited good nonlinear optical activity that was 11 times greater than that of urea. In addition, a mol. electrostatic potential map (MEP) of the title compound was studied for predicting the reactive sites.

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