Day: November 21, 2022

Chelalba, Imane published the artcilePhytochemical composition and biological activity of Neurada procumbens L. growing in southern Algeria, Category: thiazole, the publication is Journal of Food Processing and Preservation (2020), 44(10), e14774, database is CAplus.

Neurada procumbens L. (Neuradaceae) is one of the most popular plants in the province of El-Oued in south-eastern Algeria. This study aimed to determine the antioxidant effectiveness of the 80% methanol extract of the aerial parts of the plant via the study of three-way antioxidant activity namely, 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), Catalase activity (CAT), and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging capacity assays in addition to examining its inhibitory capacity on the proliferation of hepatic (HepG2) and colon cancer (HCT116) cells. Chem. profiling of the major constituents of its extract was tentatively done using LC-MS in addition to quant. determination of phenols, flavonoids, and chem. mineral elements by Inductively coupled plasma-optical emission spectrometry technique (ICP-OES). Practical applications : UHPLC/MS profiling resulted in the tentative identification of 14 compounds including fatty acids, flavones, flavonoids and sesquiterpenes. ICP-OES technique showed that Algerian N. procumben represents a potential source for essential macronutrient like Na, Fe, Ca, and K, it is also a rich source of phenolic compounds evidenced by its high total phenol content (56.23 mg GAE/g extract) and high total flavonoid content (30.10 mg RE/g extract). It also revealed a significant antioxidant potential in DPPH, CAT, and ABTS assays with EC50 equals to 75.84 mg TE/g extract, 136.55 mg eq. AG/g and 92.06 mg TE/g extract, resp., with no cytotoxic effect on hepatic and colon cancer cells revealing its relative safety. Thus, it can be concluded that N. procumbens L., acts as a promising source of antioxidants owing to its richness with phenolic compounds

Journal of Food Processing and Preservation published new progress about 30931-67-0. 30931-67-0 belongs to thiazole, auxiliary class Salt,Hydrazine,Amine,Benzothiazole, name is Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate), and the molecular formula is C18H24N6O6S4, Category: thiazole.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

McCarren, Patrick published the artcileAvoidance of the Ames test liability for aryl-amines via computation, Quality Control of 31784-71-1, the publication is Bioorganic & Medicinal Chemistry (2011), 19(10), 3173-3182, database is CAplus and MEDLINE.

Aryl-amines are commonly used synthons in modern drug discovery, however a minority of these chem. templates have the potential to cause toxicity through mutagenicity. The toxicity mostly arises through a series of metabolic steps leading to a reactive electrophilic nitrenium cation intermediate that reacts with DNA nucleotides causing mutation. Highly detailed in silico calculations of the energetics of chem. reactions involved in the metabolic formation of nitrenium cations have been performed. This allowed a critical assessment of the accuracy and reliability of using a theor. formation energy of the DNA-reactive nitrenium intermediate to correlate with the Ames test response. This study contains the largest data set reported to date, and presents the in silico calculations vs. the in vitro Ames response data in the form of beanplots commonly used in statistical anal. A comparison of this quantum mech. approach to QSAR and knowledge-based methods is also reported, as well as the calculated formation energies of nitrenium ions for thousands of com. available aryl-amines generated as a watch-list for medicinal chemists in their synthetic optimization strategies.

Bioorganic & Medicinal Chemistry published new progress about 31784-71-1. 31784-71-1 belongs to thiazole, auxiliary class Other Aromatic Heterocyclic,Chloride,Amine, name is 5-Chlorothiazolo[5,4-b]pyridin-2-amine, and the molecular formula is C6H4ClN3S, Quality Control of 31784-71-1.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Sun, Qing published the artcileFacile preparation of dihydro-1,4-benzothiazine derivatives via oxidative ring-expansion of 2-aminobenzothiazoles with olefins, COA of Formula: C7H5ClN2S, the publication is Chemical Communications (Cambridge, United Kingdom) (2022), 58(13), 2216-2219, database is CAplus and MEDLINE.

A concise and efficient approach to prepare dihydro-1,4-benzothiazine derivatives I (R¹ = H, 7-Br, 5,7-difluoro, 5-OMe, etc.; R² = Ph, naphthalen-2-yl, ethyloxidanyl, etc.; R³ = H, Me, Ph), Et 9-cyano-3,3a,9,9a-tetrahydro-2H-benzo[b]furo[2,3-e][1,4]thiazine-6-carboxylate and Et 10-cyano-4b,10,10a,11-tetrahydrobenzo[b]indeno[2,1-e][1,4]thiazine-7-carboxylate is described via oxidative ring-expansion of 2-aminobenzothiazoles II with olefins R²CH=CHR³ under metal-free conditions. This protocol is applicable for a wide range of readily accessible 2-aminobenzothiazoles II and olefins with moderate-to-good yields. The [4+2] heteroannulation between the intermediacy of oxidative ring-opening of 2-aminobenzothiazoles II and olefins is suggested to rationalize the formation of the product.

Chemical Communications (Cambridge, United Kingdom) published new progress about 95-24-9. 95-24-9 belongs to thiazole, auxiliary class Organic Pigment, name is 6-Chlorobenzothiazol-2-ylamine, and the molecular formula is C8H7ClO3, COA of Formula: C7H5ClN2S.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Bilodeau, Mark T. published the artcilePotent N-(1,3-Thiazol-2-yl)pyridin-2-amine Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors with Excellent Pharmacokinetics and Low Affinity for the hERG Ion Channel, Computed Properties of 329794-40-3, the publication is Journal of Medicinal Chemistry (2004), 47(25), 6363-6372, database is CAplus and MEDLINE.

A series of N-(1,3-thiazol-2-yl)pyridin-2-amine KDR kinase inhibitors have been developed that possess optimal properties. Compounds have been discovered that exhibit excellent in vivo potency. The particular challenges of overcoming hERG binding activity and QTc increases in vivo in addition to achieving good pharmacokinetics have been accomplished by discovering a unique class of amine substituents. These compounds have a favorable kinase selectivity profile that can be accentuated with appropriate substitution.

Journal of Medicinal Chemistry published new progress about 329794-40-3. 329794-40-3 belongs to thiazole, auxiliary class Thiazole,Chloride,Benzene, name is 2-Chloro-5-phenylthiazole, and the molecular formula is C9H6ClNS, Computed Properties of 329794-40-3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Kachare, Snehal D. published the artcileDesign, synthesis and evaluation of benzothiazole urea derivatives as an anticonvulsant agent, Quality Control of 95-24-9, the publication is Pharma Chemica (2021), 13(9), 15-25, database is CAplus.

A series of 1-((-6-substituted-2-yl)-3-(4H-1,2,4 triazole-3-yl))ureas I (R = H, OMe, Cl, NO₂, etc.) and (1-((3-(6-substituted-2-yl)ureido)methyl)cyclohexyl)acetic acids II were designed, synthesized using appropriate synthetic route and screened for CNS depressant and anticonvulsant activities. The synthesized compounds I and II were also analyzed for ADME properties. The results of In-Silico ADME Screening showed that compounds I and II could be exploited as an oral drug candidate. Mol. docking studies were performed for all the synthesized compounds I and II against γ-amino butyric acid amino transferase enzyme (1OHV), and all the compounds I and II exhibited docking score in the range of -7.5 to -8.4, among which compound II (R = Cl) had shown the highest docking scores as compared to the standard drug phenytoin. Animal study for anticonvulsant indicated that compounds I (R = NO₂, H) and II (R = Cl) were exhibited significant activity at a dose 200 mg/kg. All these compounds I and II were also evaluated for CNS depressant activity using actophotometer. The results of CNS depressant and anticonvulsant activities and docking study showed that synthesized compounds I and II had potential CNS depressant and anticonvulsant activities and can be further optimized and developed as a lead compound

Pharma Chemica published new progress about 95-24-9. 95-24-9 belongs to thiazole, auxiliary class Organic Pigment, name is 6-Chlorobenzothiazol-2-ylamine, and the molecular formula is C7H5ClN2S, Quality Control of 95-24-9.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Meltzer-Mats, Ella published the artcileSynthesis and Mechanism of Hypoglycemic Activity of Benzothiazole Derivatives, Product Details of C14H12N2S, the publication is Journal of Medicinal Chemistry (2013), 56(13), 5335-5350, database is CAplus and MEDLINE.

AMP activated protein kinase (AMPK) has emerged as a major potential target for novel antidiabetic drugs. We studied the structure of 2-chloro-5-((Z)-((E)-5-((5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl)methylene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid (PT-1), which attenuates the autoinhibition of the enzyme AMPK, for the design and synthesis of different benzothiazoles with potential antidiabetic activity. We synthesized several structurally related benzothiazole derivatives that increased the rate of glucose uptake in L6 myotubes in an AMPK-dependent manner. One compound, 2-(benzo[d]thiazol-2-ylmethylthio)-6-ethoxybenzo[d]thiazole , augmented the rate of glucose uptake up to 2.5-fold compared with vehicle-treated cells and up to 1.1-fold compared to PT-1. Concomitantly, it elevated the abundance of GLUT4 in the plasma membrane of the myotubes and activated AMPK. S.c. administration of 2-(benzo[d]thiazol-2-ylmethylthio)-6-ethoxybenzo[d]thiazole to hyperglycemic Kuo Kondo rats carrying the Ay-yellow obese gene (KKAy) mice lowered blood glucose levels toward the normoglycemic range. In accord with its activity, compound 2-(benzo[d]thiazol-2-ylmethylthio)-6-ethoxybenzo[d]thiazole showed a high fit value to a pharmacophore model derived from the PT-1.

Journal of Medicinal Chemistry published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, Product Details of C14H12N2S.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Hussein, Awaz Jamil published the artcileSynthesis and antimicrobial activity of some new thiazolidin-4-one derivatives of 4-(6-methylbenzo[d]thiazol-2-yl)benzamine, Synthetic Route of 92-36-4, the publication is Journal of Chemistry (2013), 185952, 6 pp., database is CAplus.

A number of derivatives of 2-(substituted phenyl)-3-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)thiazolidin-4-one were synthesized from the reaction of 4-(6-methylbenzo[d]thiazol-2-yl)benzenamine with different substituted benzaldehydes followed by cyclocondensation reaction of the prepared imines with 2-mercaptoacetic acid in high yields. Furthermore, the structures of the newly synthesized compounds were confirmed by FT-IR, ¹³C-NMR, ¹³C-DEPT, and ¹H-NMR spectral data. The imines and thiazolidin-4-one derivatives were evaluated for their antibacterial activity against Escherichia coli as gram neg. and Staphylococcus aureus as gram pos., the results have shown significant activity against both types of bacteria.

Journal of Chemistry published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, Synthetic Route of 92-36-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Filatre-Furcate, Agathe published the artcileGold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes, Quality Control of 5053-24-7, the publication is Dalton Transactions (2015), 44(35), 15683-15689, database is CAplus and MEDLINE.

In the presence of MeI or EtI, N-tert-butyl-1,3-thiazoline-2-thione derivatives undergo a transformation to 2-alkylthio-thiazoledithiolate pro-ligands with elimination of the tert-Bu substituent. The corresponding Au^III dithiolene complexes [Au(RS-tzdt)₂]^– (R = Me, Et) oxidize readily to the neutral radical species, such as the semi-conducting [Au(EtS-tzdt)₂]^•, which organizes into dimers in the solid state.

Dalton Transactions published new progress about 5053-24-7. 5053-24-7 belongs to thiazole, auxiliary class Thiazole,sulfides, name is 2-(Methylthio)thiazole, and the molecular formula is C4H5NS2, Quality Control of 5053-24-7.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Haj-Yehia, A. I. published the artcileDetermination of lipoic acid and dihydrolipoic acid in human plasma and urine by high-performance liquid chromatography with fluorimetric detection, HPLC of Formula: 92-36-4, the publication is Journal of Chromatography A (2000), 870(1+2), 381-388, database is CAplus and MEDLINE.

A highly sensitive method for the determination of α-lipoic acid (LA) and dihydrolipoic acid (DHLA) in human plasma and urine has been developed. Samples were acidified and extracted with organic solvent, and the free sulfhydryls of DHLA protected as the dicarboxyethylate by treatment with ethylchloroformate. The free carboxylic function of LA and the SH-protected DHLA were converted into their amide derivatives with the strong fluorophore 2-(4-aminophenyl)-6-methylbenzothiazole in the presence of a coupling agent and a base catalyst. The resulting fluorescent amides of both LA and DHLA were separated on a reversed-phase column (Ultrasphere C₈) using simple isocratic elution with acetonitrile-water (80:20) and detected fluorimetrically (excitation 343, emission 423 nm). The method is highly sensitive, reproducible, and is easily applied for the simultaneous determination of LA and DHLA in biol. samples.

Journal of Chromatography A published new progress about 92-36-4. 92-36-4 belongs to thiazole, auxiliary class Organic Pigment, name is 2-(4-Aminophenyl)-6-methylbenzothiazole, and the molecular formula is C14H12N2S, HPLC of Formula: 92-36-4.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica

Nafikova, E. P. published the artcileApplication of the United Atom Model for Estimating the Lifetime of Negative Molecular Ions Relative to Electron Autodetachment, HPLC of Formula: 1753-29-3, the publication is Journal of Experimental and Theoretical Physics (Translation of Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki) (2002), 95(4), 605-610, database is CAplus.

A model proposed for describing the scattering of low-energy electrons (whose energy ranges between thermal energy and several electronvolts) from polyat. mols. makes it possible to estimate the lifetime of shape resonances. The parameters of the model are determined by specific structural and exptl. characteristics of mols. The results of approx. computations of the lifetimes for neg. ions of mols. with different symmetries (diat. halogens, parabenzoquinone, fullerene C₆₀, benzothiadiazoles, anthraquinone derivatives, and substituted benzene forms) are presented. The obtained data show that the lifetimes are sufficient for the formation of fragment ions observed in the mass spectra of neg. ions.

Journal of Experimental and Theoretical Physics (Translation of Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki) published new progress about 1753-29-3. 1753-29-3 belongs to thiazole, auxiliary class Other Aromatic Heterocyclic,Amine, name is Benzo[d][1,2,3]thiadiazol-5-amine, and the molecular formula is C6H5N3S, HPLC of Formula: 1753-29-3.

Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/thiazole,
Thiazole | chemical compound | Britannica