Month: October 2022

da Silva, Monize M.; Ribeiro, Gabriel H.; de Camargo, Mariana S.; Ferreira, Antonio G.; Ribeiro, Leandro; Barbosa, Marilia I. F.; Deflon, Victor M.; Castelli, Silvia; Desideri, Alessandro; Correa, Rodrigo S.; Ribeiro, Arthur B.; Nicolella, Heloiza D.; Ozelin, Saulo D.; Tavares, Denise C.; Batista, Alzir A. published the artcile< Ruthenium(II) Diphosphine Complexes with Mercapto Ligands That Inhibit Topoisomerase IB and Suppress Tumor Growth In Vivo>, Application In Synthesis of 96-53-7, the main research area is melanoma antitumor lung breast cancer hTopIB docking ruthenium complexes.

Ruthenium(II) complexes (Ru1-Ru5), with the general formula [Ru(N-S)(dppe)2]PF6, bearing two 1,2-bis(diphenylphosphino)ethane (dppe) ligands and a series of mercapto ligands (N-S), have been developed. The combination of these ligands in the complexes endowed hydrophobic species with high cytotoxic activity against five cancer cell lines. For the A549 (lung) and MDA-MB-231 (breast) cancer cell lines, the IC50 values of the complexes were 288- to 14-fold lower when compared to cisplatin. Furthermore, the complexes were selective for the A549 and MDA-MB-231 cancer cell lines compared to the MRC-5 nontumor cell line. The multitarget character of the complexes was investigated by using calf thymus DNA (CT DNA), human serum albumin, and human topoisomerase IB (hTopIB). The complexes potently inhibited hTopIB. In particular, complex [Ru(dmp)(dppe)2]PF6 (Ru3) (I), bearing the 4,6-diamino-2-mercaptopyrimidine (dmp) ligand, effectively inhibited hTopIB by acting on both the cleavage and religation steps of the catalytic cycle of this enzyme. Mol. docking showed that the Ru1-Ru5 complexes have binding affinity by active sites on the hTopI and hTopI-DNA, mainly via π-alkyl and alkyl hydrophobic interactions, as well as through hydrogen bonds. Complex Ru3 displayed significant antitumor activity against murine melanoma in mouse xenograph models, but this complex did not damage DNA, as revealed by Ames and micronucleus tests.

Inorganic Chemistrypublished new progress about Antitumor agents. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Application In Synthesis of 96-53-7.

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

Wang, Mu-Xuan; Qin, Hong-Wei; Liu, Chao; Lv, Shen-Ming; Chen, Jia-Shu; Wang, Chun-Gu; Chen, Ying-Ying; Wang, Jia-Wei; Sun, Jin-Yue; Liao, Zhi-Xin published the artcile< Synthesis and biological evaluation of thiazolidine-2-thione derivatives as novel xanthine oxidase inhibitors>, SDS of cas: 96-53-7, the main research area is thiazolidine thione preparation xanthine oxidase inhibitor SAR mol modeling.

In this study, a series of novel thiazolidine-2-thione derivatives I (R1 = Et, Pr, Ph, benzyl) and II (R2 = Et, 3-pyridyl, cyclohexyl, etc.) were synthesized as XO inhibitors, and the XO inhibitory potencies of obtained compounds I and II was evaluated by in vitro enzyme catalysis. The result shown that compound II [R2 = (4-fluorobenzene)sulfonyl] behaved the strongest XO inhibitory activity with an IC50 value of 3.56μmol/L, which was approx. 2.5-fold more potent than allopurinol. The structure-activity relationship revealed that the phenyl-sulfonamide group was indispensable for thiazolidine-2-thione derivatives II [R2 = (4-fluorobenzene)sulfonyl] to produce XO inhibitory activity. The enzyme inhibition kinetics analyses confirmed that compound II [R2 = (4-fluorobenzene)sulfonyl] exerted a mixed-type XO inhibition. Addnl., the mol. docking results suggested that the 4-fluorophenyl-sulfonyl moiety could interact with Gly260 and Ile264 in the innermost part of the active pocket through 2 hydrogen bonds, while the thiazolidinethione moiety could form two hydrogen bonds with Glu263 and Ser347 in hydrophobic pockets. In summary, the results described above suggested that compound II [R2 = (4-fluorobenzene)sulfonyl] could be a valuable lead compound for the treatment of hyperuricemia as a novel XO inhibitor.

PLoS Onepublished new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, SDS of cas: 96-53-7.

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

Hansen, Ida K. O.; Loevdahl, Tomas; Simonovic, Danijela; Hansen, Kine O.; Andersen, Aaron J. C.; Devold, Hege; Richard, C. Eline S. M.; Andersen, Jeanette H.; Strom, Morten B.; Haug, Tor published the artcile< Antimicrobial activity of small synthetic peptides based on the marine peptide turgencin a: prediction of antimicrobial peptide sequences in a natural peptide and strategy for optimization of potency>, Name: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid, the main research area is turgencin antimicrobial peptide Escherichia Staphylococcus; Arctic; Synoicum turgens; antimicrobial; ascidian; peptide; synthetic.

Turgencin A, a potent antimicrobial peptide isolated from the Arctic sea squirt Synoicum turgens, consists of 36 amino acid residues and three disulfide bridges, making it challenging to synthesize. The aim of the present study was to develop a truncated peptide with an antimicrobial drug lead potential based on turgencin A. The experiments consisted of: (1) sequence anal. and prediction of antimicrobial potential of truncated 10-mer sequences; (2) synthesis and antimicrobial screening of a lead peptide devoid of the cysteine residues; (3) optimization of in vitro antimicrobial activity of the lead peptide using an amino acid replacement strategy; and (4) screening the synthesized peptides for cytotoxic activities. In silico anal. of turgencin A using various prediction software indicated an internal, cationic 10-mer sequence to be putatively antimicrobial. The synthesized truncated lead peptide displayed weak antimicrobial activity. However, by following a systematic amino acid replacement strategy, a modified peptide was developed that retained the potency of the original peptide. The optimized peptide StAMP-9 displayed bactericidal activity, with minimal inhibitory concentrations of 7.8 μg/mL against Staphylococcus aureus and 3.9 μg/mL against Escherichia coli, and no cytotoxic effects against mammalian cells. Preliminary experiments indicate the bacterial membranes as immediate and primary targets.

International Journal of Molecular Sciencespublished new progress about Anti-inflammatory agents. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Name: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

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

Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E. published the artcile< Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements>, Safety of Thiazole-5-carboxyaldehyde, the main research area is arylamidine stereoselective preparation; azidobenzoic acid isocyanide aldehyde bismethylaminoethane Ugi Mumm regiospecific rearrangement.

An efficient four-step, six-transformation protocol was developed to afford bioactive N-alkyl- or N-arylamide (E)-arylamidines I (R1 = Cy, 4-OMeC6H4, i-Pr, etc.; R2 = i-Pr, i-Bu, H, etc.; R3 = H, 5-CH3, 5-F, etc.) featuring strategic amidine C3 modifications which were inaccessible or low yielding by previous methods. This synthetic approach, exemplified with 24 amidines and requiring only a single purification, highlights a multicomponent Ugi-Mumm rearrangement to afford highly diversified quinazolinones which undergo regiospecific rearrangement to afford new amidines. The method extensively broadens the structural scope of this new class of trisubstituted amidines and demonstrates the tolerance of regional C3 amidine steric bulk, visualized with X-ray crystallog. anal.

Organic & Biomolecular Chemistrypublished new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Safety of Thiazole-5-carboxyaldehyde.

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

Zhu, Yan-Ping; Yuan, Jing-Jing; Zhao, Qin; Lian, Mi; Gao, Qing-He; Liu, Mei-Cai; Yang, Yan; Wu, An-Xin published the artcile< I2/CuO-catalyzed tandem cyclization strategy for one-pot synthesis of substituted 2-aminothiazole from easily available aromatic ketones/α,β-unsaturated ketones and thiourea>, SDS of cas: 57493-24-0, the main research area is aminothiazole preparation thiourea aromatic ketone butenone cyclization.

A concise and efficient one-pot process from easily available Me ketones or unsaturated Me ketones and thiourea was developed for the synthesis of 2-aminothiazoles with I2/CuO as catalyst. The method gave the E-isomers of 4-ethenyl-2-aminothiazoles. All these target mols. were characterized by NMR, HRMS and IR spectra.

Tetrahedronpublished new progress about 1,3-Dicarbonyl compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, SDS of cas: 57493-24-0.

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

Al-Shamkhani, Zeki A. Naser; Al-Hazam, Hanan A. published the artcile< Microwave Assisted Synthesis, Characterizations and Antibacterial Activity of Some of Thiazole Derivatives>, Computed Properties of 57493-24-0, the main research area is thiazole amino preparation antibacterial microwave.

A series of substituted 2-amino thiazole compounds I (R = H, 4-OH, 2-F, etc.) were synthesized by reaction of substituted acetophenone with thiourea and iodine in microwave oven. The biol. screening data of the synthesized compounds I were also studied.

Research Journal of Pharmaceutical, Biological and Chemical Sciencespublished new progress about Antibacterial agents. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Computed Properties of 57493-24-0.

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

Feng, Daijun; Barton, George; Scott, Colleen N. published the artcile< Synthesis of 2,5-Dibutyl-3,6-dimethyl-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione: A Diketopyrrolopyrrole Scaffold for the Formation of Alkenyldiketopyrrolopyrrole Compounds>, Product Details of C4H3NOS, the main research area is dibutyldimethylpyrrolopyrrole dione preparation diketopyrrolopyrrole scaffold; divinyl substituted diketopyrrolopyrrole carbon hydrogen functionalization.

This manuscript describes an unprecedented and efficient synthesis of a new DPP scaffold, 2,5-dibutyl-3,6-dimethyl-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione (DMDPP), containing Me groups at the 3,6-positions as a precursor to preparing 3,6-divinyl-substituted DPP compounds Subsequently, following the synthesis of DMDPP, we performed an efficient and mild C-H functionalization of the Me groups with a variety of aromatic aldehydes to synthesize the first examples of 3,6-divinyl-substituted DPP compounds in moderate to good yields.

Organic Letterspublished new progress about Aldol condensation. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Product Details of C4H3NOS.

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

Tzani, Marina A.; Gabriel, Catherine; Lykakis, Ioannis N. published the artcile< Selective synthesis of benzimidazoles from o-phenylenediamine and aldehydes promoted by supported gold nanoparticles>, Formula: C4H3NOS, the main research area is benzimidazole preparation; phenylenediamine aldehyde gold nanoparticle supported titanium oxide catalyst; benzimidazoles; cyclization reaction; gold nanoparticles; heterogeneous catalysis; o-phenylenediamine; thiabendazole.

The catalytic efficacy of supported gold nanoparticles (AuNPs) towards the selective reaction between o-phenylenediamine and aldehydes that yielded 2-substituted benzimidazoles I [R = Ph, 4-HOC6H4, 2-furyl, etc.] was investigated. Among several supported gold nanoparticle platforms, the Au/TiO2 provided a series of 2-aryl and 2-alkyl substituted benzimidazoles at ambient conditions, in the absence of additives and in high yields, using the mixture CHCl3:MeOH in ratio 3:1 as the reaction solvent. Among the AuNPs catalysts used herein, the Au/TiO2 containing small-size nanoparticles was found to be the most active towards the present catalytic methodol. The Au/TiO2 could be recovered and reused at least five times without a significant loss of its catalytic efficacy. The present catalytic synthetic protocol applied to a broad substrate scope and represents an efficient method for the formation of a C-N bond under mild reaction conditions. Notably, this catalytic methodol. provided the regio-isomer of the anthelmintic drug, Thiabendazole, in a lab-scale showing its applicability in the efficient synthesis of such N-heterocyclic mols. at industrial levels.

Nanomaterialspublished new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Formula: C4H3NOS.

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

Ostrovskii, Vladimir S.; Beletskaya, Irina P.; Titanyuk, Igor D. published the artcile< Trifluoroacetaldehyde N-Tosylhydrazone as a Precursor of Trifluorodiazoethane in Reactions of Insertion into the Heteroatom-Hydrogen Bond>, Safety of 4,5-Dihydrothiazole-2-thiol, the main research area is trifluoroacetaldehyde tosylhydrazone trifluorodiazoethane insertion reaction copper catalyst.

Trifluorodiazoethane is a widely explored trifluoroethylating reagent, which is suitable for the preparation of a large number of fluorine-containing organic mols. Nevertheless, CF3CHN2 has some disadvantages, such as volatility, storage instability, toxicity, and explosiveness. Herein, the application of trifluoroacetaldehyde N-tosylhydrazone as a CF3CHN2 precursor capable of generating in situ trifluorodiazoethane under mild basic conditions is reported. Copper-catalyzed P-H, O-H, S-H, and C-H insertion reactions of trifluoroacetaldehyde N-tosylhydrazone revealed its wide applicability in the synthesis of trifluoroethyl-containing substances.

Organic Letterspublished new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Safety of 4,5-Dihydrothiazole-2-thiol.

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

Dammann, Allison N.; Chamby, Anna B.; Catomeris, Andrew J.; Davidson, Kyle M.; Tettelin, Herve; van Pijkeren, Jan-Peter; Gopalakrishna, Kathyayini P.; Keith, Mary F.; Elder, Jordan L.; Ratner, Adam J.; Hooven, Thomas A. published the artcile< Genome-Wide fitness analysis of group B Streptococcus in human amniotic fluid reveals a transcription factor that controls multiple virulence traits>, Product Details of C11H8N2O3S2, the main research area is genome fitness analysis Streptococcus human amniotic fluid transcription factor; virulence trait.

Streptococcus agalactiae (group B Streptococcus; GBS) remains a dominant cause of serious neonatal infections. One aspect of GBS that renders it particularly virulent during the perinatal period is its ability to invade the chorioamniotic membranes and persist in amniotic fluid, which is nutritionally deplete and rich in fetal immunol. factors such as antimicrobial peptides. We used next-generation sequencing of transposon-genome junctions (Tn-seq) to identify five GBS genes that promote survival in the presence of human amniotic fluid. We confirmed our Tn-seq findings using a novel CRISPR inhibition (CRISPRi) gene expression knockdown system. This anal. showed that one gene, which encodes a GntR-class transcription factor that we named MrvR, conferred a significant fitness benefit to GBS in amniotic fluid. We generated an isogenic targeted deletion of the mrvR gene, which had a growth defect in amniotic fluid relative to the wild type parent strain. The mrvR deletion strain also showed a significant biofilm defect in vitro. Subsequent in vivo studies showed that while the mutant was able to cause persistent murine vaginal colonization, pregnant mice colonized with the mrvR deletion strain did not develop preterm labor despite consistent GBS invasion of the uterus and the fetoplacental units. In contrast, pregnant mice colonized with wild type GBS consistently deliver prematurely. In a sepsis model the mrvR deletion strain showed significantly decreased lethality. In order to better understand the mechanism by which this newly identified transcription factor controls GBS virulence, we performed RNA-seq on wild type and mrvR deletion GBS strains, which revealed that the transcription factor affects expression of a wide range of genes across the GBS chromosome. Nucleotide biosynthesis and salvage pathways were highly represented among the set of differentially expressed genes, suggesting that MrvR may be involved in regulating nucleotide availability.

PLoS Pathogenspublished new progress about Amniotic fluid. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Product Details of C11H8N2O3S2.

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