Day: November 8, 2022

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 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 April 30, 2022, Li, Juan; Xu, Yuxia; Du, Wenbin; Jin, Linxi; Ren, Peifang; Ren, Fang; Xie, Jian Chun published an article.Name: 2-Acetylthiazole The title of the article was Comparative analysis of aroma compounds in Chinese traditional dry-rendered fat by HS/GC-IMS, SPME/GC-MS, and SPME/GC-O. And the article contained the following:

Aroma compositions of Chinese traditional dry-rendered s.c. chicken, pork, beef, and sheep fats were analyzed by HS/GC-IMS, SPME/GC-MS, and SPME/GC-O. HS/GC-IMS and SPME/GC-MS identified 53 and 86 volatile compounds, resp. SPME/GC-O anal. identified 35 odor-active compounds The identifications included fatty aldehydes, ketones, alcs., acids, and esters from lipid degradation and compounds from the Maillard reaction (e.g., trimethylpyrazine) or other sources (e.g., p-cresol from animal feeds). PCA anal. showed all three approaches could discriminate aroma compositions of the four fats. PCA loading plot suggested the aroma compounds related to each of the four fats and PLS-DA model anal. screened the marker compounds differentiating aroma of the four fats. Notably, SPME/GC-O approach behaved the best in differing aromas of the four fats by PCA. The HS/GC-IMS anal. was biased for the chicken fat and pork fat, and the SPME/GC-MS anal. was biased towards the beef fat and sheep fat in differing the aroma compositions by PCA. PLS-DA model anal. showed that for the SPME/GC-O anal., the marker compounds (VIP scores >1) discriminating aromas of the four fats were hexanal, (E,E)-2,4-decadienal, 2-butanone, 4,5-epoxy-2(E)-decenal, γ-octalactone, γ-undecalactone, heptanal, octanal, 4-ethyloctanoic acid, etc. The experimental process involved the reaction of 2-Acetylthiazole(cas: 24295-03-2).Name: 2-Acetylthiazole

The Article related to aroma traditional dry rendered fat china, Placeholder for records without volume info and other aspects.Name: 2-Acetylthiazole

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

On December 23, 2021, Come, Jon H.; Senter, Timothy J.; Clark, Michael P.; Court, John J.; Gale-Day, Zachary; Gu, Wenxin; Krueger, Elaine; Liang, Jianglin; Morris, Mark; Nanthakumar, Suganthini; O′Dowd, Hardwin; Maltais, Francois; Iyer, Ganesh; Andreassi, John; Boucher, Christina; Considine, Tony; Moody, Cameron S.; Taylor, William; Mohanty, Arun K.; Huang, Yulin; Zuccola, Harmon; Coll, Joyce; Bonanno, Kenneth C.; Gagnon, Kevin J.; Gan, Lu; Lu, Fan; Gao, Hong; Chakilam, Ananthisrinivas; Engtrakul, Juntyma; Song, Bin; Crawford, Dan; Doyle, Elisabeth; Kramer, Tal; Vought, Bryan; Phillips, Jonathan; Kemper, Raymond; Sanders, Martin; Swett, Rebecca; Furey, Brinley; Winquist, Ray; Bunnage, Mark E.; Jackson, Katrina L.; Charifson, Paul S.; Magavi, Sanjay S. published an article.Category: thiazole The title of the article was Discovery and Optimization of Pyrazole Amides as Inhibitors of ELOVL1. And the article contained the following:

Accumulation of very long chain fatty acids (VLCFAs) due to defects in ATP binding cassette protein D1 (ABCD1) is thought to underlie the pathologies observed in adrenoleukodystrophy (ALD). Pursuing a substrate reduction approach based on the inhibition of elongation of very long chain fatty acid 1 enzyme (ELOVL1), we explored a series of thiazole amides that evolved into compound 27-a highly potent, central nervous system (CNS)-penetrant compound with favorable in vivo pharmacokinetics. Compound 27 (I) selectively inhibits ELOVL1, reducing C26:0 VLCFA synthesis in ALD patient fibroblasts, lymphocytes, and microglia. In mouse models of ALD, compound 27 treatment reduced C26:0 VLCFA concentrations to near-wild-type levels in blood and up to 65% in the brain, a disease-relevant tissue. Preclin. safety findings in the skin, eye, and CNS precluded progression; the origin and relevance of these findings require further study. ELOVL1 inhibition is an effective approach for normalizing VLCFAs in models of ALD. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).Category: thiazole

The Article related to elovl1 inhibitor vlcfa adrenoleukodystrophy, Placeholder for records without volume info and other aspects.Category: thiazole

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

Chen, Zhipeng; Tang, Haiqing; Ou, Changrong; Xie, Cheng; Cao, Jinxuan; Zhang, Xin published an article in 2021, the title of the article was A comparative study of volatile flavor components in four types of zaoyu using comprehensive two-dimensional gas chromatography in combination with time-of-flight mass spectrometry.Category: thiazole And the article contains the following content:

Volatiles of four zaoyu (Chinese traditional fermented fish) products prepared from different species of marine fish were analyzed by headspace solid-phase micro-extraction (HS-SPME) and comprehensive two-dimensional gas chromatog. in combination with time-of-flight mass spectrometry (GC × GC/TOFMS). First, a 50/30Μ m DVB/CAR/PDMS was used and the influence of several parameters on the efficiency of HS-SPME such as extraction temperature, time, salting-out effect, and stirring were optimized, odor activity values (OAVs) of volatile compounds were computed based on the threshold values of aroma constituents; the characteristic volatiles and their odor characteristics of the four zaoyu were investigated. The results demonstrated that the most effective extraction of the analytes was obtained with a 40 min extraction at 50°C with the addition of 20% NaCl and stirring at 300 r/min. Under these conditions, a total of 288 volatile components were tentatively identified based on mass spectra and comparison of linear retention indexes in the four zaoyu products. Authenticated compounds included aldehydes, esters, alcs., ketones, furans, lactones, nitrogen compounds, sulfur compounds, terpenes, phenols, etc. Among the identified types of volatile compounds, the number of esters is the largest, whereas the content of aldehydes is the highest. The results of OAVs comparisons proved that both aldehydes and esters provided the most significant contribution to the aromas of zaoyu, and each zaoyu product had its own unique active flavor components. Moreover, the OAVs of active flavor compounds common to the four examined zaoyu varied significantly. Our results substantiated that GC × GC/TOFMS could provide a robust tech. means to understand the flavor characteristics of zaoyu and allow us to better evaluate and improve the flavor quality of the products with complex food matrix like zaoyu. The method present in this research is suitable to characterize the volatile constituents of aquatic products, and could also be used for component characterization of similar complex samples such as fermented fish and foods. Understanding the key aroma compounds of fermented fish and its formation mechanism could provide a guide of process optimization and flavor regulation, contributing to further studies related to volatile compounds in the field of food flavor anal. The experimental process involved the reaction of 2-Acetylthiazole(cas: 24295-03-2).Category: thiazole

The Article related to volatile flavor component zaoyu product gas chromatog, Placeholder for records without volume info and other aspects.Category: thiazole

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

Nizamuddin, Nd; Abdul ahad, Hindustan; Devanna, Nayakanti published an article in 2020, the title of the article was Molecular docking studies of N-methyl- 2, 3 -disubstituted quinazolin-4-ones scaffold.Name: 4-Phenylthiazol-2-amine And the article contains the following content:

In recent days, synthesis of anticancer mols. having both low adverse effects and specific protein targeting are seldom. Synthesis of anticancer mols. having both low adverse effects and specific protein targeting is challenging. The main objective of our study was to develop mols. that can target activated protein kinase P38 alpha and activin receptor (ALK2) kinase for treating carcinoma. P38 alpha is involved in cell differentiation, apoptosis, and autophagy. Activin receptor (ALK2) kinase is responsible for mutations of cancerous cells. The synthesis of N-Me – 2, 3 -Disubstituted Quinazolin-4-Ones was carried out by refluxing of 1-methyl-2-(pyridinyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one with 4-substituted phenyl-1,3-thiazol-2-amines. The mol. docking of 1-methyl-3-(4-substituted phenyl-1,3-thiazol-2-yl)-2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one (5Da1-5Dk11) and 1-methyl-3-(4-substituted phenyl-1,3-thiazol-2-yl)-2-(pyridin-4-yl)-2,3-dihydroquinazolin-4(1H)-one (5Ea1-5Ek11) derivatives were carried out using Schrodinger Glide (version 2020_1) software. Twenty-two quinazoline-4-one derivatives were docked into selective P38 alpha and ACVR1 (ALK2) kinase with PDB code 3GC7, 6GI6. Based on the docking score, comparison between quinazolin-4-one derivatives, co-crystallized Ligands interaction was evaluated using 5-Fluorouracil as standard Best activity was found in compounds 5Df6, 5Dd4, 5Ed4 and 5Ef6 with ACVR1 (ALK2) kinase with score of -8.223, -7.936, -8.123, -7.907 and 5Df6, 5Dh8, 5Eb2 and 5Ee5 with P38alpha with score of -7.19, -7.027, -6.698, -6.789 Kcal/mol against enzymes responsible for treatment for cancer compare with reference drug score -5.765 and -6.195. This study will help in the design and development of a drug that gives room for the synthesis of a new selective ACVR1 (ALK2) kinase and P38alpha enzyme inhibitor with predetermined affinity and activity of the compound The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).Name: 4-Phenylthiazol-2-amine

The Article related to methyl disubstituted quinazolinone scaffold mol docking, Placeholder for records without volume info and other aspects.Name: 4-Phenylthiazol-2-amine

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

On June 30, 2022, Rajeswari, Kannuri; Manturthi, Shireesha; Sirisha, Kalam; Velidandi, Amar nath published an article.Safety of 2-Acetylthiazole The title of the article was Anchoring and Hydrophobic Nature of Coumarin in Newer Coumarin Based Chalcones: Synthesis, In Silico, and In Vitro Cell Viability Studies. And the article contained the following:

Coumarin is active pharmacophore; to enhance the activity of chalcone we inserted coumarin along with other cyclic groups. Fewer pyrazolone aldehydes produced using Wills Maeyer Haack reaction by grinding method. In alc. sodium hydroxide, cyclic ketones react with aldehydes to produce title compounds To treat the ill cell a drug must be with a linker, anchoring group, and hydrophobic group. Herein, the enone group acts as a linker, the rings on both sides are connected, one side ring acts as the anchoring group, and the other side ring acts as the hydrophobic group; anchoring, hydrophobic dual roles played by coumarin ring. In this series, In silico studies results have shown that many compounds of this series potent for anti-cancer activity along with other biol. activities, the In vitro cell viability studies of the series shows that, chalcone (I), (VIII), and (IV) are having IC50 values 2.96, 2.97, and 2.82 μM against call 27 (or) oral cancer cell line. The experimental process involved the reaction of 2-Acetylthiazole(cas: 24295-03-2).Safety of 2-Acetylthiazole

The Article related to oral cancer coumarin chalcone cell viability hydrophobic, Placeholder for records without volume info and other aspects.Safety of 2-Acetylthiazole

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

On July 31, 2021, Li, Shaohui; Zhao, Wei; Liu, Songyan; Li, Pengliang; Zhang, Aixia; Zhang, Jiali; Wang, Yunting; Liu, Yingying; Liu, Jingke published an article.Product Details of 24295-03-2 The title of the article was Characterization of nutritional properties and aroma compounds in different colored kernel varieties of foxtail millet (Setaria italica). And the article contained the following:

Proximate compositions, color values, total yellow pigment contents, amino acids, fatty acids, mineral elements compositions, and aroma compounds of four foxtail millet varieties, namely Jigu 42, Henggu13, Henglvgu1, and Heinuogu, were evaluated. There were significant differences among the four foxtail millet varieties(p < 0.05). A total of 62 volatile compounds were quant. determined by combination of simultaneous distillation extraction (SDE) and gas chromatog. mass spectrometry (GC-MS). The main flavor components contained 18 aldehydes, six alcs., nine ketones, five acids, 10 hydrocarbons, 10 benzene derivatives, and four other components. Among 30 odor characteristics described compounds, the odor activity value (OAV) of 18 compounds was greater than 1, including nonanal, (Z)-2-nonenal, (E,E)-2,4-nonadienal, naphthalene di-Bu phthalate, and others. Partial least squares discriminant anal. (PLS-DA) showed that minerals and aroma compounds with variable importance in projection (VIP) greater than 1 were the markers that distinguished the difference of foxtail millet varieties. The experimental process involved the reaction of 2-Acetylthiazole(cas: 24295-03-2).Product Details of 24295-03-2

The Article related to setaria nonanal 2 4 nonadienal naphthalene dibutyl phthalate, Placeholder for records without volume info and other aspects.Product Details of 24295-03-2

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

On December 31, 2019, Rudrapal, Mithun; Sowmya, Mullapudi P. K. published an article.Related Products of 2010-06-2 The title of the article was Design, synthesis, drug-likeness studies and bio-evaluation of some new chalconeimines. And the article contained the following:

Newly designed chalconeimines were synthesized, characterized and evaluated for their in vitro antioxidant and antibacterial effectiveness. Results of antioxidant activity assay reveal that all the tested compounds possess good to moderate antioxidant activity which is lower in comparison to that of a standard drug (gallic acid). On the other hand, all the synthesized compounds were found to exhibit a considerably wider spectrum of antibacterial activity, but it was also narrower in comparison to that of a standard drug (ciprofloxacin). Elucidation of structure-activity relationships revealed that electron donating groups (-OH, -OCH3) contribute more to antioxidant potency, whereas electron withdrawing groups (-Cl) impart better antibacterial effectiveness. Moreover, results of drug-likeness studies indicate that a reasonable correlation exists between the drug-like properties and antioxidant activity of the synthesized chalconeimines. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).Related Products of 2010-06-2

The Article related to chalconeimine drug design synthesis antioxidant antibacterial, Placeholder for records without volume info and other aspects.Related Products of 2010-06-2

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

On May 31, 2022, He, Xiaona; Wang, Hongbo; Yang, Xiaoling; Xi, Bin; Li, Weihong; Wang, Fang; Li, Hongqiang; Gao, Yaqin published an article.Category: thiazole The title of the article was The effects of frozen storage on fatty acids, amino acids, and volatile compounds in mutton stored for 90 days. And the article contained the following:

Frozen storage can delay mutton meat spoilage to the maximum extent, prolonging its shelf life. In this experiment, mutton refrigerated for 24 h was used as the control group and that stored at -18°C was used as the exptl. group to explore the effects of frozen storage for 90 days on FA, AA, and VOC of the mutton. The results showed that FA, AA, and VOC changed significantly during storage. PUFA and n-3 FA contents were the highest at 3 days of freezing (54.92 and 15.28 mg/100 g, resp.). AA contents were higher in the exptl. group than in the control group, and Glu contents were the highest during the whole storage period, ranging from 2.94% to 3.28%, and the maximum value was on the 3rd day. In total, 38 volatile compounds were detected, and the most abundant volatile compounds were detected at 60 days. The variance contribution rates of PCA were 48.7%, 19.4%, and 14.8%, the PCA model can be used as a separation model. Novelty impact statement : This study simulated the storage of mutton by household users and shortened the detection time point at the initial freezing stage, indicating that the differences in flavor substance changes in mutton at the initial freezing stage was little. On the other hand, GC-IMS was effectively used to visualize flavor substance changes during storage, providing a new method to distinguish the storage time of meat products. In conclusion, this study can provide basic research data for long-term storage of mutton and provide tech. reference for meat storage identification. The experimental process involved the reaction of 2-Acetylthiazole(cas: 24295-03-2).Category: thiazole

The Article related to fatty acids threonine valine phenylalanine butyl acetate furfural, Placeholder for records without volume info and other aspects.Category: thiazole

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