Category: 5709-67-1

On October 31, 1998, Fan, M.; Byrd, C.; Compadre, C. M.; Compadre, R. L. published an article.Related Products of 5709-67-1 The title of the article was Comparison of CoMFA models for Salmonella typhimurium TA98, TA100, TA98 + S9 and TA100 + S9 mutagenicity of nitroaromatics. And the article contained the following:

Comparative Mol. Field Anal. (CoMFA) was applied to a comprehensive data set of heterogeneous nitroaroms. tested in Salmonella typhimurium TA98 and TA100 with and without S9 microsomal activation. The four CoMFA models developed agree with postulated mechanisms of mutagenicity, and explain over 70% of the corresponding mutagenic variance. The standard deviation coefficient contours common in the four models included high electronic d. regions equivalent to C4-C5 in the pyrene ring, and an electron deficient site equivalent to C6. These areas are associated with high mutagenicity. Electron deficient areas may be related with the nitroreductive bioactivation of nitroaroms. Electron rich sites may be involved with oxidative mechanisms analogous to the bioactivation pathway of polycyclic aromatic hydrocarbons. The contribution of steric factors to mutagenicity follows the order TA98 + S9 > TA98 > TA100 + S9 > TA100. The models indicated that increasing bulk perpendicular to the aromatic plane would decrease mutagenicity, but increasing the aromatic ring system along a region corresponding to C6-C7 in 1-nitropyrene would increase mutagenicity. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Related Products of 5709-67-1

The Article related to salmonella mutagenicity nitroarom compound, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Related Products of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On August 31, 1993, Villemin, D.; Cherqaoui, D.; Cense, J. M. published an article.HPLC of Formula: 5709-67-1 The title of the article was Neural networks studies: quantitative structure-activity relationship of mutagenic aromatic nitro compounds. And the article contained the following:

The application of neural networks to the study of quant. structure-activity relationship (QSAR) of mutagenic aromatic and heteroaromatic nitro compounds is reported. The results obtained are compared with the results given by a multiple linear regression. It is shown that neural networks prediction is more accurate than regression anal. prediction. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).HPLC of Formula: 5709-67-1

The Article related to aromatic nitro compound mutagenicity qsar model, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.HPLC of Formula: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On March 31, 1988, Dirr, A.; Wild, D. published an article.Synthetic Route of 5709-67-1 The title of the article was Synthesis and mutagenic activity of nitroimidazoarenes. A study on the mechanism of the genotoxicity of heterocyclic arylamines and nitroarenes. And the article contained the following:

A series of nitroimidazoarenes (nitro-IAs) (I and II, X = CH or N, R = H or Me) were synthesized from the corresponding aminoimidazoarenes (amino-IAs). These 2 classes of compounds are structurally related to the potent food mutagen and carcinogen, 2-amino-3-methylimidazo[4,5-f]quinoline (IQ). The mutagenic activities of the I and II were assayed in the Salmonella typhimurium frameshift tester strains TA98, TA98/1,8-DNP6 and TA98NR without use of extracellular metabolization. I (X = N, R = Me) the nitro counterpart of IQ, was 2-fold more mutagenic than IQ. In general, the mutagenic activities of the I varied >50,000-fold. The relation between the chem. structures and mutagenic activities are identical with those previously reported for the corresponding amino-IAs: the Me group on the imidazole ring and the quinoline N were required for potent mutagenic activity. The reductive activation of the nitro-IAs is not carried out primarily by the classical nitroreductase of Salmonella which is defective in TA98NR. The O-acetyltransferase defective in TA98/1,8-DNP6 is required for the efficient production of the ultimate mutagens of the nitro-IAs. The interchangeability of the structure-activity relations of the nitro-IAs and amino-IAs reflects a basic similarity of the mechanisms of the mutagenicity of the 2 classes of compounds Probably, the N-hydroxy compounds are proximate metabolites common to the nitro-IAs and amino-IAs; they are further activated by an acetyl-CoA-dependent O-acetyltransferase of Salmonella. It is very likely a property of the ultimate mutagen, possibly a nitrenium ion, which governs the mutagenic potency of the different nitro- and amino-IAs and thus determines the structure-activity relations. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Synthetic Route of 5709-67-1

The Article related to nitroimidazoarene toxicity preparation, imidazoarene toxicity preparation, genotoxicity imidazoarene preparation, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Synthetic Route of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On December 31, 1979, Larina, L. I.; Vakul’skaya, T. I.; Nefedova, O. B.; Shibanova, E. F.; Lopyrev, V. A.; Voronkov, M. G. published an article.Reference of 2-Nitro-1H-benzo[d]imidazole The title of the article was Study of electron effects of substituents in 2-substituted benzimidazole derivatives by a proton NMR method. And the article contained the following:

NMR chem. shifts (δ) were determined for the protons on C-4 and C-7 and on C-5 and C-6 of 2-substituted benzimidazoles and their anions and protonated forms. In the neutral mols. substituent effects were transmitted to positions 4 and 7 exclusively by conjugation but were transmitted to positions 5 and 6 by both field and resonance mechanisms in a 1:3 ratio. In the anions transmission to positions 5 and 6 involved only conjugation, whereas transmission to positions 4 and 7 involved inductive and resonance effects in a 1:8 ratio. The effects in the protonated forms could not be separated The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Reference of 2-Nitro-1H-benzo[d]imidazole

The Article related to nmr benzimidazole lfer, Physical Organic Chemistry: Spectral and Related Studies and other aspects.Reference of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On March 31, 1981, Lopyrev, V. A.; Larina, L. I.; Vakul’skaya, T. I.; Larin, M. F.; Nefedova, O. B.; Shibanova E. F.; Voronkov, M. G. published an article.Recommanded Product: 5709-67-1 The title of the article was Transmission of the substituent effects in 2-substituted benzimidazoles studied by proton and carbon-13 nuclear magnetic resonance. And the article contained the following:

Substituent effects on the 1H and 13C NMR chem. shifts in 2-substituted benzimidazoles and their anions and cations were studied quant. The transmission of electron effects of substituents from C-2 to C-5(6) is approx. 20% less effective than in the opposite direction. The solvent effects on 1H chem. shifts and transmission effects in the charged forms of 2-substituted benzimidazoles were also studied. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Recommanded Product: 5709-67-1

The Article related to benzimidazole nmr substituent effect, transmission electronic effect benzimidazole substituent, solvent effect benzimidazole nmr, lfer benzimidazole nmr, Physical Organic Chemistry: Spectral and Related Studies and other aspects.Recommanded Product: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On October 29, 2014, Duan, Hongdong; Xu, Ting; Bu, Juan published a patent.Application In Synthesis of 2-Nitro-1H-benzo[d]imidazole The title of the patent was Benzimidazolylbenzaldehyde p-phenylenediamine Schiff base, its preparation method and application in fluorescence material and sensor. And the patent contained the following:

The invention disclosed a kind of benzimidazolylbenzaldehyde p-phenylenediamine Schiff base, its preparation method and application in fluorescence material and sensor. The claimed benzimidazolylbenzaldehyde p-phenylenediamine Schiff base is shown in structure I (R = H, F, Cl, NO2, OH, CN). The claimed compound is prepared with benzimidazole or benzimidazole derivative and p-fluorobenzaldehyde via N-C coupling to obtain 4-benzimidazolylbenzaldehyd or its derivative, then condensation with p-phenylenediamine to generate the Schiff base product. The obtained compound has the advantages of conjugated and rigid plane structure with good fluorescence performance and metal ion selectivity. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Application In Synthesis of 2-Nitro-1H-benzo[d]imidazole

The Article related to benzimidazolylbenzaldehyde phenylenediamine schiff base preparation, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Application In Synthesis of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 28, 1992, Li, M. J.; Li, S. Z.; Zhuang, X. L.; Chen, A.; Zhang, H. Q.; Pang, X. C.; Hu, B. published an article.Application of 5709-67-1 The title of the article was Synthesis and radiosensitizing activity of benzimidazoles. And the article contained the following:

Reaction of 2-nitrobenzimidazole with Et chloroformate yielded Et (2-nitrobenzimidazol-1-yl)formate or Et (2-hydroxybenzimidazol-1-yl)formate, depending upon the solvents used. Reaction of 2-nitrobenzimidazole with 1,2-epoxy-3-chloropropane gave a cyclized compound I. In an attempt to increase hydrophilicity, 1-substituted 2-(3′-pyridyl)-5-nitrobenzimidazoles were prepared by reaction of 2-(3′-pyridyl)-5(6)-nitrobenzimidazole with alkyl epoxides or Et chloroacetate. Some of the compounds synthesized were tested for radiosensitizing activity in Ehrlich ascites carcinoma-bearing mice. Preliminary results showed that some compounds have radiosensitizing activity. The radiosensitizing enhancement ratio (SER) of compounds I and II (R = H, Me) were 1.50, 1.52 and 1.65 resp. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Application of 5709-67-1

The Article related to benzimidazole preparation radiosensitizer, nitrobenzimidazole preparation radiosensitizer, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Application of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Gupta, Rajender P.; Larroquette, Cynthia A.; Agrawal, Krishna C. published an article in 1982, the title of the article was Potential radiosensitizing agents. 5. 2-Substituted benzimidazole derivatives.Recommanded Product: 5709-67-1 And the article contains the following content:

Benzimidazoles I [R = CH2CH(OH)CH2OMe, CH2CO2Et; R1 = CONH2, Ac, CF3, CN, SO2Me, NO2; R2, R3 = H, NO2] were prepared, e.g., by alkylation of I (R = H) with 1,2-epoxy-3-methoxypropane in the presence of K2CO3. Reaction of I (R1 = NO2, SO2Me) with the epoxide also yielded a benzimidazo[2,1-b]oxazole derivative I (R1 = NO2) showed the highest radiosensitizing activity against Chinese hamster cells (V-79) in culture. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Recommanded Product: 5709-67-1

The Article related to benzimidazole nitro preparation radiosensitizer, radiosensitizer nitrobenzimidazole derivative, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Recommanded Product: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On August 31, 1997, Kang, Seok Ho; Kim, Jaheon; Kim, Jinho; Hahn, Jong Hoon; Kim, Kimoon published an article.Synthetic Route of 5709-67-1 The title of the article was Syntheses, x-ray structures and second harmonic generation efficiencies of fused ring heterocycles. And the article contained the following:

Second harmonic generation efficiencies of a number of fused ring heterocyclic compounds bearing a nitro group were measured using the Kurtz powder method. Among them, 5-nitroindole has the highest SHG efficiency, 20 times as high as that of urea reference Several 5-nitroindole derivatives were synthesized in the hope of improving the SHG efficiency. None of the derivatives, however, exhibited higher SHG efficiency than the mother compound X-ray crystal structures of some of these compounds as well as that of 5-nitroindole itself were determined In the crystal structure of 5-nitroindole the angle (θ) between the mol. charge transfer axis and the polar axis of the crystal is 52.72°, which is close to the optimum value 54.74° predicted by theory. On the other hand, crystal structures of 1,2-dimethyl-5-nitroindole and 1-ethyl-5-nitroindole revealed θ values far from the optimum one, which is consistent with their low SHG efficiencies. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Synthetic Route of 5709-67-1

The Article related to fused heterocycle preparation crystal mol structure, second harmonic generation efficiency fused heterocycle, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Synthetic Route of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 30, 1984, Middleton, Richard W.; Monney, Hugh; Parrick, John published an article.Electric Literature of 5709-67-1 The title of the article was N-Methylation of heterocycles with dimethylformamide dimethyl acetal. And the article contained the following:

Benzimidazoles I (R = H, CF3), II (R1 = H, Me), and III (R2 = H, Me) were prepared 4,7-Dimethoxybenzimidazole was heated with HC(OMe)2NMe2 in PhMe to give I (R = H). 4,7-Dimethoxybenzimidazoline-2-thione gave III (R2 = H) and III (R2 = Me). The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Electric Literature of 5709-67-1

The Article related to methylbenzimidazole, methylation benzimidazole dmf methyl acetal, benzimidazolinone methylation dmf methyl acetal, Heterocyclic Compounds (More Than One Hetero Atom): Imidazoles and other aspects.Electric Literature of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem