Month: November 2022

Al-Janabi, Ahmed S. M. published the artcileSynthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases, Quality Control of 95-24-9, the publication is Journal of Molecular Structure (2021), 129454, database is CAplus and MEDLINE.

New Schiff bases (L¹H) I (I), (L²H) II (II), (L³H) III (III) were synthesized by reaction of 2-benzoylpyridine with different amines (2-amino-6-chlorobenzothiazole, isonicotinohydrazide and N¹-(naphthalen-1-yl)ethane-1,2-diamine) and characterized by ¹H-NMR, ¹³C-NMR, IR mass spectroscopy and elemental anal. The compounds (I), (II) and (III) were assayed by the disk diffusion method for anti-bacterial against five pathogenic bacteria species (Staphylococcus aureus, Micrococcus luteus, Staphylococcus pyogenes, Bacillus subtilis, and E. coli). All prepared Schiff bases (I), (II) and (III) showed good activity compared to pos. control (streptomycin). Moreover the L³H showed the highest activity against S. aureus, and M. luteus than the other compounds and streptomycin. In addnl. mol. docking studies with 3-chymotrypsin-like protease (3CLpro), the essential enzyme for SARS-CoV-2 proliferation. The rest of compounds have shown promising results as 3CLpro inhibitors interacting with the active sites of the enzymes. Finally, DFT’s estimated electrostatic mol. potential results were used to illustrate the mol. docking findings. The DFT calculations showed that L³H has the highest dipole moment and electrophilicity index. Interestingly, L²H of the largest energy gap ΔE = 2.49 eV, there are several hydrophilic interactions that could facilitate the binding with the receptors. All of these parameters could be shared to significantly affect the protein sites of binding affinity with different extent.

Journal of Molecular Structure 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

Hathoot, A. A. published the artcileElectrochemical and electrocatalytic properties of hybrid films composed of conducting polymer and metal hexacyanoferrate, Quality Control of 92-36-4, the publication is International Journal of Electrochemical Science (2011), 6(3), 637-649, database is CAplus.

Hybrid organic/inorganic modified electrode, composed of poly(2-(4-aminophenyl)-6-methylbenzothiazole) (PABT) matrix and Prussian blue (PB) like Ni hexacyanoferrate redox centers (PABT/NiHcF), showed reversible electrochem. behavior in aqueous electrolytes. Pt disk (Pt) was used as a conductive substrate onto which the composite film was electrodeposited by potential cycling. Electrochem. behavior of the modified electrode was well characterized using cyclic voltammetry (CV). The voltammetric characteristics of the composite modified electrodes were also studied in presence of different alkali metal cations (Li⁺, Na⁺, K⁺ ,Ce⁺ and NH₄⁺). The heterogeneous electron transfer processes involving the composite and their stability were examined by subjecting the system to the long term cyclic voltammetric potential, cycling in 0.2 M NaCl electrolyte. Bilayer composite electrodes exhibit higher ionic conductivity, higher stability in comparison with pure inorganic (MeHcF) films. The inner electro active polymer chains in the film cause enhancement in the elec. conductivity of the composite electrodes. The modified electrode presented a good electrocatalytic activity towards the oxidation of MeOH, and oxalic acid (COOH)₂.

International Journal of Electrochemical Science 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, Quality Control of 92-36-4.

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

Abdel-Azzem, M. published the artcileElectrochemical copolymerization of 2-(4-aminophenyl)-6-methyl benzothiazole and aniline, Product Details of C14H12N2S, the publication is European Polymer Journal (1995), 31(12), 1207-13, database is CAplus.

Electropolymerization of 2-(4-aminophenyl)-6-Me benzothiazole (ABT) was carried out in acetonitrile. Potential sweep electrolysis of ABT at platinum electrode produced an electroactive polymeric film in acidic solutions Electropolymerization of ABT with different ratios of aniline were performed. The compositions of the copolymers were found by using ¹H-NMR spectroscopy. Conductivity measurements were carried out on the copolymer prepared by constant current electrolysis. The films produced vary in their properties depending on the initial ratio of ABT to aniline. Films grown from a solution containing ABT and aniline in the ratio 50:50 exhibited good electroactivity and conductivity

European Polymer Journal 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

Petrou, Anthi published the artcileNovel thiazolidin-4-ones as potential non-nucleoside inhibitors of HIV-1 reverse transcriptase, Related Products of thiazole, the publication is Molecules (2019), 24(21), 3821, database is CAplus and MEDLINE.

Background: HIV is the causative agent of Acquired Immunodeficiency Syndrome (AIDS), an infectious disease with increasing incidence worldwide. Non-nucleoside reverse transcriptase inhibitors (NNRTIs) play an important role in the treatment of AIDS. Although, many compounds are already being used as anti-HIV drugs, research for the development of new inhibitors continues as the virus develops resistant strains. Methods: The best features of available NNRTIs were taken into account for the design of novel inhibitors. PASS (Prediction of activity spectra for substances) prediction program and mol. docking studies for the selection of designed compounds were used for the synthesis. Compounds were synthesized using conventional and microwave irradiation methods and HIV RT inhibitory action was evaluated by colorimetric photometric immunoassay. Results: The evaluation of HIV-1 RT inhibitory activity revealed that seven compounds have significantly lower IC₅₀ values than nevirapine (0.3μM). It was observed that the activity of compounds depends not only on the nature of substituent and it position in benzothiazole ring but also on the nature and position of substituents in benzene ring. Conclusion: Twenty four of the tested compounds exhibited inhibitory action lower than 4μM. Seven of them showed better activity than nevirapine, while three of the compounds exhibited IC₅₀ values lower than 5 nM. Two compounds 9 and 10 exhibited very good inhibitory activity with IC₅₀ 1 nM.

Molecules 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, Related Products of thiazole.

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

Ofosu, Fred Kwame published the artcilePhenolic profile, antioxidant, and antidiabetic potential exerted by millet grain varieties, Application of Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate), the publication is Antioxidants (2020), 9(3), 254, database is CAplus and MEDLINE.

This study evaluated the potential antioxidant and antidiabetic properties in vitro of four millet grain varieties cultivated in South Korea. The free fractions were tested for their total antioxidant capacity using 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt (ABTS+) and 2,2′-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assays, followed by α-glucosidase, α-amylase, and advanced glycation endproducts (AGEs) formation inhibition assays. The total phenolics, flavonoids, and condensed tannins in the free fractions ranged from 107.8 to 136.4 mg ferulic acid equivalent (FAE)/100 g, 101.3 to 115.8 mg catechin equivalent (CE)/100 g, and 17.65 to 59.54 mg catechin equivalent (CE)/100 g, resp. Finger Italian millet had the highest total phenolic content (136.4 mg FAE/100 g) and flavonoid content (115.8 mg CE/100 g). Barnyard and finger Italian millet showed the highest DPPH (IC50 = 359.6μg/mL and 436.25μg/mL, resp.) and ABTS radical scavenging activity (IC50 = 362.40μg/mL and 381.65μg/mL, resp.). Similarly, finger Italian millet also exhibited significantly lower IC50 values for the percentage inhibition of α-glucosidase (18.07μg/mL) and α-amylase (10.56μg/mL) as compared with acarbose (IC50 = 59.34μg/mL and 27.73μg/mL, resp.) and AGEs formation (33.68μg/mL) as compared with aminoguanidine (AG) (52.30μg/mL). All eight phenolic compounds identified in finger Italian millet were flavonoids, with flavanols being the predominant subclass. Taken together, millet flavonoids play important roles in the prevention and management of type 2 diabetes, and hence finger Italian millet has the potential to be developed as a functional food.

Antioxidants 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, Application of Ammonium 2,2′-(hydrazine-1,2-diylidene)bis(3-ethyl-2,3-dihydrobenzo[d]thiazole-6-sulfonate).

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

Moharram, H. H. published the artcileSynthesis of some benzothiazole derivatives of expected biological activity, Product Details of C14H12N2S, the publication is Egyptian Journal of Chemistry (1985), 27(2), 241-5, database is CAplus.

Benzothiazoles I [R = CONHR¹ (R¹ = Et, Bu, Ph, cyclohexyl), C(S)NHR² (R² = Me, allyl), COCH₂NHNH₂, COCH₂NHN:CHR³ [R³ = 3,4-(MeO)₂C₆H₃, 4-Me₂NC₆H₄]] were prepared, starting from I (R = H), as potential bactericides.

Egyptian 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, Product Details of C14H12N2S.

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

Tay, Funda published the artcileA quantum chemical DFT/HF study on acidity constants of some benzothiazole and thiazole derivatives, Formula: C13H10N2S, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (2014), 53B(1), 102-110, database is CAplus.

The acid dissociation (K_a) constants of some 4-and/or 6-substituted-2-aminobenzothiazole compounds have been investigated theor. The gas and aqueous phase geometries, thermal and solvation free energies have been calculated with full geometry optimization by using HF (6-31G(d)) and B3LYP (6-31G(d)) methods for 2-aminobenzothiazole, 2-aminothiazole derivatives and their fixed models. From the calculated acidity constants of investigated compounds, it has been detected that the protonation occurs at the the nitrogen atom of the amino group for 2-aminobenzothiazoles and at ring nitrogen atom for 2-aminothiazoles. Acceptable correlations have been observed between theor. (HF and B3LYP) and exptl. pK_a values of the mols. with regression coefficients (R² = 0.98, 0.86) and (R² = 0.98, 0.85) for the protonation of benzothiazole and thiazole mols., resp. Theor. calculations also show that basicity of the studied compounds increase in the presence of electron donor substituents.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about 56503-96-9. 56503-96-9 belongs to thiazole, auxiliary class Thiazole,Amine,Naphthalene, name is 4-(Naphthalen-1-yl)thiazol-2-amine, and the molecular formula is C11H14O2, Formula: C13H10N2S.

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

Li, Yang published the artcileNear-Infrared Activated Black Phosphorus as a Nontoxic Photo-Oxidant for Alzheimer’s Amyloid-β Peptide, COA of Formula: C14H12N2S, the publication is Small (2019), 15(24), n/a, database is CAplus and MEDLINE.

The inhibition of amyloid-β (Aβ) aggregation by photo-oxygenation has become an effective way of treating Alzheimer’s disease (AD). New near-IR (NIR) activated treatment agents, which not only possess high photo-oxygenation efficiency, but also show low biotoxicity, are urgently needed. Herein, for the first time, it is demonstrated that NIR activated black phosphorus (BP) could serve as an effective nontoxic photo-oxidant for amyloid-β peptide in vitro and in vivo. The nanoplatform BP@BTA (BTA: one of thioflavin-T derivatives) possesses high affinity to the Aβ peptide due to specific amyloid selectivity of BTA. Importantly, under NIR light, BP@BTA can significantly generate a high quantum yield of singlet oxygen (¹O₂) to oxygenate Aβ, thereby resulting in inhibiting the aggregation and attenuating Aβ-induced cytotoxicity. In addition, BP could finally degrade into nontoxic phosphate, which guarantees the biosafety. Using transgenic Caenorhabditis elegans CL2006 as AD model, the results demonstrate that the ¹O₂-generation system could dramatically promote life-span extension of CL2006 strain by decreasing the neurotoxicity of Aβ.

Small 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, COA of Formula: C14H12N2S.

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

Hou, Yue published the artcileRewritable optical data storage based on mechanochromic fluorescence materials with aggregation-induced emission, COA of Formula: C7H5ClN2S, the publication is Dyes and Pigments (2019), 830-838, database is CAplus.

In this work, the synthesis and aggregation-induced emission (AIE) properties of a new mol. system are reported. This system composes of three positional isomers, which are fabricated by attaching a methoxy group in different locations. The isomeric effects on the AIE properties as well as the intramol. charge transfer (ICT) processes were studied. Addnl. the new isomers exhibit mechanochromic fluorescence (MCF). Among the three isomers, (E)-2-(((6-chlorobenzo[d]thiazol-2-yl)imino)methyl)-5-methoxyphenol (CHM3) exhibits the most remarkable MCF performance with emission that decreases in intensity and red-shifts in wavelength under mech. stimuli. The emission changes are caused by crystalline-amorphous transition as verified by Powder X-ray diffraction (PXRD) anal. The mechano-induced state can be easily recovered through a recrystallization process, which can be activated by solvent fumigation or solvent immersion. Furthermore, the switching between two emission states shows nice reversibility. Based on the MCF material with high fatigue resistance, a new type of rewritable optical data storage (ODS) is developed. Binary data, comprised of “0” and “1” state, can be matched well with the two emission states, resp. The data could thus be written or erased on the ODS device, demonstrating feasibility and practicability.

Dyes and Pigments 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, COA of Formula: C7H5ClN2S.

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

Haasnoot, Willem published the artcileMonoclonal antibodies against a sulfathiazole derivative for the immunochemical detection of sulfonamides, Application of Methyl 2-(2-aminothiazol-4-yl)acetate, the publication is Food and Agricultural Immunology (2000), 12(2), 127-138, database is CAplus.

To prepare monoclonal antibodies (mAbs) against the generic part of sulfonamides, a sulfathiazole derivative was chem. linked to carrier proteins in such a way that the aromatic amino group, common to all sulfonamides, was distal to the proteins. Four mice were immunized with the sulfathiazole-protein derivatives The spleen cells of one of the mice were fused with myeloma cells to produce hybridomas of which the supernatants were screened in an indirect ELISA (iELISA) for the presence of sulfathiazole antibodies. After cloning, pos. supernatants were tested in a competitive iELISA (ciELISA) for inhibition with 18 sulfonamides. This resulted in four different mAbs (all IgG1 kappa light chain) which recognized several sulfonamides. By use of the best monoclonal (27G3) and an optimized ciELISA protocol, eight structurally different sulfonamides showed 50% inhibition at concentrations less than 100 ng ml^-1 or 5 ng/well. However, other relevant sulfonamides (such as sulfadimidine, sulfatroxazole and sulfachloropyrazine) were detected at a high level only with this mAb. This means that the ciELISA (with the best Mab) showed a broad specificity for sulfonamides but the sensitivity towards the different sulfonamides varied too much to call it a generic sulfonamide ELISA.

Food and Agricultural Immunology published new progress about 64987-16-2. 64987-16-2 belongs to thiazole, auxiliary class Thiazole,Amine,Ester, name is Methyl 2-(2-aminothiazol-4-yl)acetate, and the molecular formula is C6H8N2O2S, Application of Methyl 2-(2-aminothiazol-4-yl)acetate.

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