Tag: 200-300

Hu, Min-Qi; Li, Heng; Lin, Ying; Zhang, Ying; Tang, Jie; Zuo, Jian-Ping; Yu, Li-Fang; Tong, Xian-Kun; Tang, Wei; Yang, Fan published an article in 2020, the title of the article was 1-Phenyl-N-(benzothiazol-2-yl)methanimine derivatives as Middle East respiratory syndrome coronavirus inhibitors.Related Products of 92-36-4 And the article contains the following content:

Middle East respiratory syndrome coronavirus (MERS-CoV) poses a serious threat to human health, and currently there are no effective or specific therapies available to treat it. Herein a series of 1-phenyl-N-(benzothiazol-2-yl)methanimine derivatives with inhibitory activity against MERS-CoV are described. The compound 4f with a 50% inhibition concentration value of 0.09 μM is a promising inhibitor that warrants further evaluation, towards the development of potential anti-MERS-CoV drugs. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Related Products of 92-36-4

The Article related to middle east respiratory syndrome 1phenyl n benzothiazol2yl methanimine derivative, Placeholder for records without volume info and other aspects.Related Products of 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Boles, Jessica E.; Bennett, Charlotte; Baker, Jennifer; Hilton, Kira L. F.; Kotak, Hiral A.; Clark, Ewan R.; Long, Yifan; White, Lisa J.; Lai, Hin Yuk; Hind, Charlotte K.; Sutton, J. Mark; Garrett, Michelle D.; Cheasty, Anne; Ortega-Roldan, Jose L.; Charles, Mark; Haynes, Cally J. E.; Hiscock, Jennifer R. published an article in 2022, the title of the article was Establishing the selective phospholipid membrane coordination, permeation and lysis properties for a series of ′druggable′ supramolecular self-associating antimicrobial amphiphiles.Synthetic Route of 92-36-4 And the article contains the following content:

The rise of antimicrobial resistance remains one of the greatest global health threats facing humanity. Furthermore, the development of novel antibiotics has all but ground to a halt due to a collision of intersectional pressures. Herein we determine the antimicrobial efficacy for 14 structurally related supramol. self-associating amphiphiles against clin. relevant Gram-pos. methicillin resistant Staphylococcus aureus and Gram-neg. Escherichia coli. We establish the ability of these agents to selectively target phospholipid membranes of differing compositions, through a combination of computational host:guest complex formation simulations, synthetic vesicle lysis, adhesion and membrane fluidity experiments, alongside our novel 1H NMR CPMG nanodisc coordination assays, to verify a potential mode of action for this class of compounds and enable the production of evermore effective next-generation antimicrobial agents. Finally, we select a 7-compound subset, showing two lead compounds to exhibit ′druggable′ profiles through completion of a variety of in vivo and in vitro DMPK studies. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Synthetic Route of 92-36-4

The Article related to phospholipid druggable supramol self associating amphiphile antimicrobial, Placeholder for records without volume info and other aspects.Synthetic Route of 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On July 31, 2009, Kamber, Markus; Flueckiger-Isler, Sini; Engelhardt, Guenter; Jaeckh, Rudolf; Zeiger, Errol published an article.SDS of cas: 92-36-4 The title of the article was Comparison of the Ames II and traditional Ames test responses with respect to mutagenicity, strain specificities, need for metabolism and correlation with rodent carcinogenicity. And the article contained the following:

The Ames II Salmonella mutagenicity assay procedure was used to test 71 chems., and the results were compared with those from the traditional Ames Salmonella test using the NTP database as the reference All Ames II tests were performed using a fluctuation procedure in microplate format, using TAMix for the detection of base pair substitutions and TA98 to detect frameshift mutations. There was 84% agreement between the two procedures in identifying mutagens and nonmutagens, which is equivalent to the intra- and interlaboratory reproducibility of 87% for the traditional test. The two tests also performed similarly in their predictions of rodent carcinogenicity. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).SDS of cas: 92-36-4

The Article related to salmonella strain ames ii mutagenicity metabolism, rodent carcinogenicity ames test predictivity mutagen, Toxicology: Methods (Including Analysis) and other aspects.SDS of cas: 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On February 28, 2010, Bentzien, Joerg; Hickey, Eugene R.; Kemper, Raymond A.; Brewer, Mark L.; Dyekjaer, Jane D.; East, Stephen P.; Whittaker, Mark published an article.SDS of cas: 92-36-4 The title of the article was An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions. And the article contained the following:

In this paper, the authors describe an in silico first principal approach to predict the mutagenic potential of primary aromatic amines. This approach is based on the so-called “nitrenium hypothesis”, which was developed by Ford et al. in the early 1990s. This hypothesis asserts that the mutagenic effect for this class of mols. is mediated through the transient formation of a nitrenium ion and that the stability of this cation is correlated with the mutagenic potential. Here the authors use quantum mech. calculations at different levels of theory (semiempirical AM1, ab initio HF/3-21G, HF/6-311G(d,p), and DFT/B3LYP/6-311G(d,p)) to compute the stability of nitrenium ions. When applied to a test set of 257 primary aromatic amines, the authors show that this method can correctly differentiate between Ames active and inactive compounds, and furthermore that it is able to rationalize and predict SAR trends within structurally related chem. series. For this test set, the AM1 nitrenium stability calculations are found to provide a good balance between speed and accuracy, resulting in an overall accuracy of 85%, and sensitivity and specificity of 91% and 72%, resp. The nitrenium-based predictions are also compared to the com. software packages DEREK, MULTICASE, and the MOE-Toxicophore descriptor. One advantage of the approach presented here is that the calculation of relative stabilities results in a continuous spectrum of activities and not a simple yes/no answer. This allows the authors to observe and rationalize subtle trends due to the different electrostatic properties of the organic mols. The authors’ results strongly indicate that nitrenium ion stability calculations should be used as a complementary approach to assist the medicinal chemist in prioritizing and selecting nonmutagenic primary aromatic amines during preclin. drug discovery programs. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).SDS of cas: 92-36-4

The Article related to aromatic amine mutagenicity prediction modeling, Toxicology: Methods (Including Analysis) and other aspects.SDS of cas: 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On May 31, 2007, Ichihara, Osamu; Sampson, David; Whittaker, Mark; Bradley, Mark; Cho, Jin Ku published an article.Quality Control of 2-(4-Aminophenyl)-6-methylbenzothiazole The title of the article was Development of self-indicating resin. And the article contained the following:

The development and application of self-indicating resins (SIR), materials which can indicate the presence or absence of amines in the reaction solution by the conspicuous color change of a phenolsulfophthalein type dye immobilized on resin beads has been reported. Although the functionality necessary for attaching the dye to the resins could be readily introduced by the Suzuki-Miyaura coupling during the synthesis of the SIR, this approach was only applicable to the dyes containing suitable functionality for the cross-coupling reaction. A new approach to immobilizing the indicating dyes onto the resin support is now reported. The dyes suitable for loading onto aminomethyl polystyrene (PS) resin were prepared by Friedel-Crafts reaction of 2-sulfoterephthalic anhydride with a wide range of phenols. Using this new route, polymer-supported dye I was readily prepared in >100g quantities. Use of I in the synthesis of a 144 member urea library was demonstrated and the SIR successfully indicated the endpoint of the reaction between amines and isocyanates. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Quality Control of 2-(4-Aminophenyl)-6-methylbenzothiazole

The Article related to urea preparation sulfonephenolphthalein polymer supported indicator, General Organic Chemistry: Synthetic Methods and other aspects.Quality Control of 2-(4-Aminophenyl)-6-methylbenzothiazole

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On June 25, 2020, Han, Amy; Kelly, Marcus; Olson, William published a patent.Category: thiazole The title of the patent was Tubulysins and protein-tubulysin conjugates. And the patent contained the following:

Provided herein are compounds, compositions, and methods for the treatment of diseases and disorders associated with cancer, including tubulysins and protein (e.g., antibody) drug conjugates thereof. The experimental process involved the reaction of Ethyl 2-(4-methylpent-2-enoyl)thiazole-4-carboxylate(cas: 944559-46-0).Category: thiazole

The Article related to tubulysin protein conjugate antibody cancer, Pharmaceuticals: Formulation and Compounding and other aspects.Category: thiazole

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On June 30, 2003, Mattioni, Brian E.; Kauffman, Gregory W.; Jurs, Peter C.; Custer, Laura L.; Durham, Stephen K.; Pearl, Greg M. published an article.Formula: C14H12N2S The title of the article was Predicting the Genotoxicity of Secondary and Aromatic Amines Using Data Subsetting To Generate a Model Ensemble. And the article contained the following:

Binary quant. structure-activity relationship (QSAR) models are developed to classify a data set of 334 aromatic and secondary amine compounds as genotoxic or nongenotoxic based on information calculated solely from chem. structure. Genotoxic endpoints for each compound were determined using the SOS Chromotest in both the presence and absence of an S9 rat liver homogenate. Compounds were considered genotoxic if assay results indicated a pos. genotoxicity hit for either the S9 inactivated or S9 activated assay. Each compound in the data set was encoded through the calculation of numerical descriptors that describe various aspects of chem. structure (e.g. topol., geometric, electronic, polar surface area). Furthermore, five addnl. descriptors that focused on the secondary and aromatic nitrogen atoms in each mol. were calculated specifically for this study. Descriptor subsets were examined using a genetic algorithm search engine interfaced with a k-Nearest Neighbor fitness evaluator to find the most information-rich subsets, which ultimately served as the final predictive models. Models were chosen for their ability to minimize the total number of misclassifications, with special attention given to those models that possessed fewer occurrences of pos. toxicity hits being misclassified as nontoxic (false negatives). In addition, a subsetting procedure was used to form an ensemble of models using different combinations of compounds in the training and prediction sets. This was done to ensure that consistent results could be obtained regardless of training set composition The procedure also allowed for each compound to be externally validated three times by different training set data with the resultant predictions being used in a “majority rules” voting scheme to produce a consensus prediction for each member of the data set. The individual models produced an average training set classification rate of 71.6% and an average prediction set classification rate of 67.7%. However, the model ensemble was able to correctly classify the genotoxicity of 72.2% of all prediction set compounds The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Formula: C14H12N2S

The Article related to genotoxicity structure activity relationship secondary aromatic amine, qsar algorithm mol descriptor aromatic amine genotoxicity, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Formula: C14H12N2S

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Sun, Xin; Li, Qian; Xiang, Junfeng; Wang, Lixia; Zhang, Xiufeng; Lan, Ling; Xu, Shujuan; Yang, Fengmin; Tang, Yalin published an article in 2017, the title of the article was Novel fluorescent cationic benzothiazole dye that responds to G-quadruplex aptamer as a novel K+ sensor.Formula: C14H12N2S And the article contains the following content:

A fluorescent cationic benzothiazole dye (I) that selectively targets a G-quadruplex aptamer was designed and synthesized as a K+ sensor. The K+-driven aptamer sensor is based on the strategy of conformational transition from single-stranded DNA to G-quadruplex structure, leading to an amplified fluorescence signal in the reporter. This fluorescent sensor displayed high selectivity for K+, suggesting great potential for practical applications. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Formula: C14H12N2S

The Article related to fluorescent cationic benzothiazole dye g quadruplex aptamer potassium sensor, Biochemical Methods: Spectral and Related Methods and other aspects.Formula: C14H12N2S

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On February 28, 2008, Du, Hongying; Wang, Jie; Watzl, June; Zhang, Xiaoyun; Hu, Zhide published an article.Electric Literature of 92-36-4 The title of the article was Classification structure-activity relationship (CSAR) studies for prediction of genotoxicity of thiophene derivatives. And the article contained the following:

The grid search support vector machine (GS-SVM) was used to build a classification structure-activity relationship (CSAR) model and to predict the genotoxicity property of 140 thiophene derivatives with the information derived from the compounds’ mol. structures. The seven descriptors selected by linear discriminant anal. (LDA) were used as the inputs to develop the GS-SVM model. Using the Grid Search method, a satisfactory model with a good predictive capability was obtained. The quality of the models was evaluated by the number of right classified compounds The total accuracy of the LDA model was 81.4% and 85.2% for the training set and test set, resp., and to the GS-SVM model was 92.9% and 92.6%, resp. It was proved that the GS-SVM method was a very useful modeling approach with good classification ability for the genotoxicity of the thiophene derivatives This work also provides a new idea and an alternative method to investigate the genotoxicity of the similar structures with thiophene derivatives, and can be extended to other toxicity studies. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).Electric Literature of 92-36-4

The Article related to thiophene derivative genotoxicity classification structure activity, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Electric Literature of 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

On March 20, 2003, Karlsson, H. Jonas; Lincoln, Per; Westman, Gunnar published an article.HPLC of Formula: 92-36-4 The title of the article was Synthesis and DNA binding studies of a new asymmetric cyanine dye binding in the minor groove of [poly(dA-dT)]2. And the article contained the following:

A new asym. cyanine dye has been synthesized and its interaction with different DNA has been investigated. In this dye, BEBO, the structure of the known intercalating cyanine dye BO has been extended with a benzothiazole substituent. The resulting crescent-shape of the mol. is similar to that of the well-known minor groove binder Hoechst 33258. Indeed, comparative studies of BO illustrate a considerable change in binding mode induced by this structural modification. Linear and CD studies indicate that BEBO binds in the minor groove to [poly (dA-dT)]2, but that the binding to calf thymus DNA is heterogeneous, although still with a significant contribution of minor groove binding. Similar to other DNA binding asym. cyanine dyes, BEBO has a large increase in fluorescence intensity upon binding and a relatively large quantum yield when bound. The minor groove binding of BEBO to [poly (dA-dT)]2 affords roughly a 180-fold increase in intensity, which is larger than to that of the commonly used minor groove binding probes DAPI and Hoechst 33258. The experimental process involved the reaction of 2-(4-Aminophenyl)-6-methylbenzothiazole(cas: 92-36-4).HPLC of Formula: 92-36-4

The Article related to dna cyanine dye preparation, Biochemical Methods: Spectral and Related Methods and other aspects.HPLC of Formula: 92-36-4

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica