Category: 5709-67-1

Wright, Jeremy; Frank, Lesley R.; Bush, Donna; Harrison, George H. published an article in 1983, the title of the article was Evaluation of nitrobenzimidazoles as hypoxic cell radiosensitizers.Safety of 2-Nitro-1H-benzo[d]imidazole And the article contains the following content:

Radiobiol. and pharmacokinetic assays were performed to determine the potential of 2-nitrobenzimidazole (NBI) as a hypoxic cell radiosensitizing agent. As judged by comparing survival curve slopes of Serratia marcescens irradiated under aerated and hypoxic conditions, the NBI enhancement ratio (ER) at 2 mM concentration was 2.4, compared with an O enhancement ratio of 3.3. 2,5-Dinitrobenzimidazole (DNBI) was investigated in vitro; its ER was 3.0 at 4 mM concentration Very poor tissue penetration of DNBI precluded further testing in vivo. Acute toxic signs appeared in C3H/HeJ mice following i.p. injection of NBI at 100 mg/kg. These would be partly attributable to the stress caused by the high pH of the injection vehicle. The LD50 was estimated to be 125-150 mg/kg. Mammary adenocarcinoma tumors grown in the flanks of these mice exhibited maximum NBI levels at 5 min postinjection (i.p.). Peak tumor radiosensitization occurred in the interval of 5-10 min postinjection. The ER for tumor regrowth delay was 2.1 following 50 mg/kg injected into mice 5 min before irradiation Functional evaluation up to 40 days after treatment revealed no evidence of neurol. deficit. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Safety of 2-Nitro-1H-benzo[d]imidazole

The Article related to radiosensitization nitrobenzimidazole, Radiation Biochemistry: Other and other aspects.Safety of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Tawari, Nilesh; Lele, Arundhati; Khambete, Mihir; Degani, Mariam published an article in 2014, the title of the article was Mutagenicity prediction for nitroaromatic compounds using qstr modeling.Category: imidazoles-derivatives And the article contains the following content:

Objective: Nitroarom. compounds are important industrial chems. widely used in the synthesis of many diverse products including drugs, dyes, polymers, pesticides and explosives. However, the mutagenicity associated with nitroarom. compounds is a toxicol. feature which poses great concern. On the other hand, there are successful examples of non-mutagenic nitroarom. mols.; indicating that safer nitroarom. compounds can be developed. In this light the aim of the present work was to predict the mutagenicity of nitroarom. compounds using an atom based QSTR model. Methods: An atom based QSTR model was developed using PHASE. In addition, mols. were studied by complete geometry optimization using DFT at B3LYP/3-21G* level of theory. Results: An atom based QSTR model was generated for prediction of mutagenicity of the compounds Conclusion: The visualization of different properties highlighted key inferences. These include the likelihood of mutagenicity for the mols. with more fused planar hydrophobic rings having hydrogen bond acceptor and electron donating substitutions. Also, all highly mutagenic compounds have two or more neg. potential regions. Specific electronic properties such as HOMO and LUMO indicate that most of the mutagenic mols. are very reactive in nature. The results of this study would be useful as a predictive tool to screen out mutagenic nitroarenes and design safer non-mutagenic nitro compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Category: imidazoles-derivatives

The Article related to nitroarom compound mutagenicity quant structure toxicity relationship modeling, Pharmacology: Structure-Activity and other aspects.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On February 15, 2012, Khan, K. M.; Shah, Zarbad; Ahmad, V. U.; Ambreen, N.; Khan, M.; Taha, M.; Rahim, F.; Noreen, S.; Perveen, S.; Choudhary, M. I.; Voelter, W. published an article.Quality Control of 2-Nitro-1H-benzo[d]imidazole The title of the article was 6-Nitrobenzimidazole derivatives: Potential phosphodiesterase inhibitors: Synthesis and structure-activity relationship. And the article contained the following:

6-Nitrobenzimidazole derivatives (1-30) synthesized and their phosphodiesterase inhibitory activities determined Out of thirty tested compounds, ten showed a varying degrees of phosphodiesterase inhibition with IC50 values between 1.5 ± 0.043 and 294.0 ± 16.7 μM. Compounds 30 (IC50 = 1.5 ± 0.043 μM), 1 (IC50 = 2.4 ± 0.049 μM), 11 (IC50 = 5.7 ± 0.113 μM), 13 (IC50 = 6.4 ± 0.148 μM), 14 (IC50 = 10.5 ± 0.51 μM), 9 (IC50 = 11.49 ± 0.08 μM), 3 (IC50 = 63.1 ± 1.48 μM), 10 (IC50 = 120.0 ± 4.47 μM), and 6 (IC50 = 153.2 ± 5.6 μM) showed excellent phosphodiesterase inhibitory activity, much superior to the standard EDTA (IC50 = 274 ± 0.007 μM), and thus are potential mols. for the development of a new class of phosphodiesterase inhibitors. A structure-activity relationship is evaluated. All compounds are characterized by spectroscopic parameters. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Quality Control of 2-Nitro-1H-benzo[d]imidazole

The Article related to nitrobenzimidazole derivative preparation structure phosphodiesterase inhibitor, Pharmacology: Structure-Activity and other aspects.Quality Control of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On February 28, 1991, Debnath, Asim Kumar; Lopez de Compadre, Rosa L.; Debnath, Gargi; Shusterman, Alan J.; Hansch, Corwin published an article.Product Details of 5709-67-1 The title of the article was Structure-activity relationship of mutagenic aromatic and heteroaromatic nitro compounds. Correlation with molecular orbital energies and hydrophobicity. And the article contained the following:

A survey of the literature yielded data on over 200 aromatic and heteroaromatic nitro compounds tested for mutagenicity in the Ames test using S. typhimurium TA98. From the data, a QSAR has been derived for 188 congeners. The main determinants of mutagenicity are the hydrophobicity (modeled by octanol/water partition coefficients) and the energies of the lowest unoccupied mol. orbitals calculated using the AM1 method. It is also shown that chems. possessing three or more fused rings possess much greater mutagenic potency than compounds with one or two fused rings. Since the QSAR is based on a very wide range in structural variation (aromatic rings from benzene to coronene are included as well as many different types of heterocycles), it is a significant step toward a predictive toxicol., with value in the design of less mutagenic bioactive compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Product Details of 5709-67-1

The Article related to mutagenicity qsar aromatic heteroaromatic nitro compound, hydrophobicity nitro compound mutagenicity, lumo nitro compound mutagenicity, Physical Organic Chemistry: General and other aspects.Product Details of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On March 31, 2015, Liu, Yang-hua; Zhou, Zhi-xiang; Zhang, Xiao-long; Li, Han-dong published an article.Recommanded Product: 5709-67-1 The title of the article was Development of QSAR model for predicting mutagenicity of aromatic compounds. And the article contained the following:

Quant. structure-activity relationship (QSAR) model was developed for predicting the mutagenicity of aromatic compounds The log revertants data of S. typhimurium TA98 strain from Ames test have been collected. 225 Aromatic compounds were randomly divided into the training set with 186 mols. and test set with 39 mols. Multiple linear regression (MLR) anal. was used to select six descriptors from thousands of descriptors calculated by semi-empirical AM1 and E-dragon methods. The final QSAR model with six descriptors was internal and external validated. In addition, to validate the utility of our QSAR model for the chem. evaluation, three aromatic compounds were taken to test the predictive ability and reliability of the model exptl. The compounds selected for testing were not based on the predictions, thus spanning the range of predicted probabilities. The subsequently generated results of the Ames test were in good correspondence with the predictions and confirmed this approach as a useful means of predicting likely mutagenic risk of aromatic compounds 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 mutagenicity aromatic compound qsar model, Toxicology: Methods (Including Analysis) and other aspects.Recommanded Product: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On February 29, 2008, Nair, Pramod C.; Sobhia, M. Elizabeth published an article.Electric Literature of 5709-67-1 The title of the article was Comparative QSTR studies for predicting mutagenicity of nitro compounds. And the article contained the following:

Mutagenicity and carcinogenicity are toxicol. endpoints which pose a great concern being the major determinants of cancers and tumors. Nitroarenes possess genotoxic properties as they can form various electrophilic intermediates and adducts with biol. systems. Different QSTR techniques were employed to develop models for the prediction of mutagenicity of nitroarenes using a diverse set of 197 nitro aromatic and hetero aromatic mols. The 2D and 3D QSTR methods used for model development gave statistically significant results. The alignment for 3D methods was obtained by maximum common substructures (MCS) approach, by taking the most mutagenic mol. of the dataset as the template. All the QSTR models were developed with the same set of training and test set mols. The 3D contours and 2D contribution maps along with mol. fingerprints provide useful information about the mutagenic potentials of the mols. The GFA based model shows thermodn. and topol. descriptors play an important role in characterizing mutagenicity of nitroarenes. At.-level thermodn. descriptor namely AlogP throws light on hydrophobic features and helps to understand the bilinear model. Topol. aspects of these classes of compounds were depicted by the fragment fingerprints and Balaban indexes obtained from HQSAR and GFA models, resp. The predictive abilities of 2D and 3D QSTR models may be useful as a vibrant predictive tool to screen out mutagenic nitroarenes and design safer non-mutagenic nitro compounds 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 mutagenicity nitroarene structure activity relationship, Toxicology: Methods (Including Analysis) and other aspects.Electric Literature of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On March 31, 1986, Vance, William A.; Okamoto, Howard S.; Wang, Yi Y. published an article.Recommanded Product: 5709-67-1 The title of the article was Structure-activity relationships of nitro and methyl-nitro derivatives of indoline, indole, indazole and benzimidazole in Salmonella typhimurium. And the article contained the following:

The mutagenic activities of I (R = H or Me) and II (R = H or Me; X = Y = CH or N) were investigated in Salmonella TA 98 and 100. The presence of a NO2 group at C4 or C7 resulted in only weakly or nonmutagenic compounds, while a NO2 group at C2, C5 or C6 usually resulted in measurable mutagenic activity in the non-N-methylated compounds Methylation of a ring N usually reduced the mutagenic activity of these nitroheterocyclics except 2-nitrobenzimidazole  [5709-67-1], which resulted in a better than 300-fold increase in mutagenic activity. A proposed mechanism for the increased mutagenic activity obtained by methylation of imidazole N may provide insights into the reasons for the potent mutagenicities observed for several similarly methylated cooked-food mutagens. 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 mutagenicity nitro nitrogen heterocycle, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Recommanded Product: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

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, 1986, Vance, William A.; Okamoto, Howard S.; Wang, Yi Y. published an article.Recommanded Product: 5709-67-1 The title of the article was Structure-activity relationships of nitro and methyl-nitro derivatives of indoline, indole, indazole and benzimidazole in Salmonella typhimurium. And the article contained the following:

The mutagenic activities of I (R = H or Me) and II (R = H or Me; X = Y = CH or N) were investigated in Salmonella TA 98 and 100. The presence of a NO2 group at C4 or C7 resulted in only weakly or nonmutagenic compounds, while a NO2 group at C2, C5 or C6 usually resulted in measurable mutagenic activity in the non-N-methylated compounds Methylation of a ring N usually reduced the mutagenic activity of these nitroheterocyclics except 2-nitrobenzimidazole  [5709-67-1], which resulted in a better than 300-fold increase in mutagenic activity. A proposed mechanism for the increased mutagenic activity obtained by methylation of imidazole N may provide insights into the reasons for the potent mutagenicities observed for several similarly methylated cooked-food mutagens. 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 mutagenicity nitro nitrogen heterocycle, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Recommanded Product: 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem