Month: October 2022

Eiriksdottir, Emelia; Langel, Uelo; Rosenthal-Aizman, Katri published the artcile< An improved synthesis of releasable luciferin-CPP conjugates>, Product Details of C11H7KN2O3S2, the main research area is synthesis releasable luciferin cell penetrating peptide conjugate.

The authors have improved the synthesis of a previously published luciferin-linker, used in an assay enabling rapid real-time quantification of luciferin-CPP conjugate uptake and cytosolic cargo release. The authors also present the synthesis of a new luciferin-linker with the same conjugation ability. Both luciferin-linkers are now available via an efficient one-pot procedure.

Tetrahedron Letters published new progress about 115144-35-9. 115144-35-9 belongs to class thiazole, and the molecular formula is C11H7KN2O3S2, Product Details of C11H7KN2O3S2.

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

Uppal, Archana; Singh, Anita; Kothiyal, Preeti published the artcile< Structure-based design, synthesis and antidepressant-like activity of phenylthiazolyl-1H,2H,3H,4H-naphthalene derivatives>, Related Products of 57493-24-0, the main research area is aryl thiazolyl amino tetrahydronaphthalene preparation mol docking antidepressant.

A series of new [aryl(thiazolyl)]aminotetrahydronaphthalene derivatives I [R1 = H, OMe, Cl; R2 = H, Me; R3 = 4-CH3, 3,4-di-Cl, 4-Br, etc.] were synthesized and studied for their mol. docking properties via in silico assay in CHARMm-based CDocker program. Results indicated that these compounds showed interactions towards serotonin transporters. All the titled compounds were evaluated for antidepressant activity by forced-swimming test, tail suspention test and open-field test on albino mice and acute toxicity of compounds I [R1 = OMe; R2 = H; R3 = 4-NHC(O)CH3, 3-NO2] were also studied. Antidepressant-like effect in mice tests revealed that the most active compounds were I [R1 = OMe; R2 = H; R3 = 4-NHC(O)CH3, 3-NO2] with no any toxicity.

Asian Journal of Chemistry published new progress about Antidepressants. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Related Products of 57493-24-0.

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

Othman, Ali; Katz, Evgeny; Smutok, Oleh published the artcile< Electrochemically switchable and tunable luciferase bioluminescence>, Safety of (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid, the main research area is luciferase bioluminescence biocatalyst porosity; Bioluminescence; Electrochemically switchable; Electrochemically tunable; Luciferase; Modified electrode.

The biocatalytic activity of electrode-immobilized luciferase followed by bioluminescence emitted from the electrode surface was reversibly tuned and switched by applying electrochem. signals. When a reductive potential (-0.9 V vs. Ag/AgCl) was applied, O2 was consumed at the electrode resulting in its depletion in a thin film near the electrode surface. This resulted in the inhibition of the immobilized luciferase which needs O2 for the biocatalytic reaction. Releasing the potential resulted in diffusional equilibration of the O2 local concentration with the bulk solution, then reactivating luciferase. Reversible inhibition-activation of luciferase was obtained upon cyclic application and releasing of the potential, resp.

Bioelectrochemistry published new progress about Bioluminescence. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Safety of (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

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

Ulmschneider, Sarah; Modduller-Vieira, Ursula; Klein, Christian D.; Antes, Iris; Lengauer, Thomas; Hartmann, Rolf W. published the artcile< Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. [Erratum to document cited in CA142:373650]>, Recommanded Product: Thiazole-5-carboxyaldehyde, the main research area is erratum heteroarylidene aromatic compound stereoisomer preparation aldosterone oxidase inhibition; pyridylmethylene tetrahydronaphthalene indane stereoisomer preparation aldosterone oxidase inhibition erratum; structure heteroarylidene aromatic compound stereoisomer aldosterone oxidase inhibition erratum; CYP11B2 inhibiting heteroarylidene aromatic compound stereoisomer preparation erratum; selective aldosterone oxidase inhibiting heteroarylidene aromatic compound erratum; mol modeling heteroarylidene aromatic compound binding CYP11B1 CYP11B2 erratum.

In Tables 2 and 3 on pages 1567 and 1568, the column of values for the % inhibition for human CYP17 and the columns of values for IC50 for V79 11B1 hCP11B1 and V79 11B2 hCYP11B2 were switched. The correct versions of the tables are given.

Journal of Medicinal Chemistry published new progress about Homo sapiens. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Recommanded Product: Thiazole-5-carboxyaldehyde.

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

Gorla, Suresh Kumar; Kavitha, Mandapati; Zhang, Minjia; Chin, James En Wai; Liu, Xiaoping; Striepen, Boris; Makowska-Grzyska, Magdalena; Kim, Youngchang; Joachimiak, Andrzej; Hedstrom, Lizbeth; Cuny, Gregory D. published the artcile< Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase>, COA of Formula: C4H3NOS, the main research area is benzoxazole derivative preparation Cryptosporidium inosine monophosphate dehydrogenase inhibitor.

Cryptosporidium parvum is an enteric protozoan parasite that has emerged as a major cause of diarrhea, malnutrition, and gastroenteritis and poses a potential bioterrorism threat. C. parvum synthesizes guanine nucleotides from host adenosine in a streamlined pathway that relies on IMP dehydrogenase (IMPDH). We have previously identified several parasite-selective C. parvum IMPDH (CpIMPDH) inhibitors by high-throughput screening. In this paper, we report the structure-activity relationship (SAR) for a series of benzoxazole derivatives with many compounds demonstrating CpIMPDH IC50 values in the nanomolar range and >500-fold selectivity over human IMPDH (hIMPDH). Unlike previously reported CpIMPDH inhibitors, these compounds are competitive inhibitors vs. NAD+. The SAR study reveals that pyridine and other small heteroaromatic substituents are required at the 2-position of the benzoxazole for potent inhibitory activity. In addition, several other SAR conclusions are highlighted with regard to the benzoxazole and the amide portion of the inhibitor, including preferred stereochem. An X-ray crystal structure of a representative E·IMP·inhibitor complex is also presented. Overall, the secondary amine derivative I demonstrated excellent CpIMPDH inhibitory activity (IC50 = 0.5 ± 0.1 nM) and moderate stability (t1/2 = 44 min) in mouse liver microsomes. The racemic version of I, also displayed superb antiparasitic activity in a Toxoplasma gondii strain that relies on CpIMPDH (EC50 = 20 ± 20 nM), and selectivity vs. a wild-type T. gondii strain (200-fold). No toxicity was observed (LD50 > 50 μM) against a panel of four mammalian cells lines.

Journal of Medicinal Chemistry published new progress about Cryptosporidium parvum. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, COA of Formula: C4H3NOS.

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

Wang, Ning-Yu; Xu, Ying; Zuo, Wei-Qiong; Xiao, Kun-Jie; Liu, Li; Zeng, Xiu-Xiu; You, Xin-Yu; Zhang, Li-Dan; Gao, Chao; Liu, Zhi-Hao; Ye, Ting-Hong; Xia, Yong; Xiong, Ying; Song, Xue-Jiao; Lei, Qian; Peng, Cui-Ting; Tang, Hong; Yang, Sheng-Yong; Wei, Yu-Quan; Yu, Luo-Ting published the artcile< Discovery of Imidazo[2,1-b]thiazole HCV NS4B Inhibitors Exhibiting Synergistic Effect with Other Direct-Acting Antiviral Agents>, Computed Properties of 101080-15-3, the main research area is imidazothiazole HCV NS4B inhibitor drug synergism antiviral.

The design, synthesis, and SAR studies of novel inhibitors of HCV NS4B based on the imidazo[2,1-b]thiazole scaffold were described. Optimization of potency with respect to genotype 1b resulted in the discovery of two potent leads 26f (I, EC50 = 16 nM) and 28g (II, EC50 = 31 nM). The resistance profile studies revealed that 26f and 28g targeted HCV NS4B, more precisely the second amphipathic α helix of NS4B (4BAH2). Cross-resistance between our 4BAH2 inhibitors and other direct-acting antiviral agents targeting NS3/4A, NS5A, and NS5B was not observed For the first time, the synergism of a series of combinations based on 4BAH2 inhibitors was evaluated. The results demonstrated that our 4BAH2 inhibitor 26f was synergistic with NS3/4A inhibitor simeprevir, NS5A inhibitor daclatasvir, and NS5B inhibitor sofosbuvir, and it could also reduce the dose of these drugs at almost all effect levels. Our study suggested that favorable effects could be achieved by combining 4BAH2 inhibitors such as 26f with these approved drugs and that new all-oral antiviral combinations based on 4BAH2 inhibitors were worth developing to supplement or even replace current treatment regimens for curing HCV infection.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 101080-15-3 belongs to class thiazole, and the molecular formula is C6H10N2S, Computed Properties of 101080-15-3.

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

Mallo-Abreu, Ana; Prieto-Diaz, Ruben; Jespers, Willem; Azuaje, Jhonny; Majellaro, Maria; Velando, Carmen; Garcia-Mera, Xerardo; Caamano, Olga; Brea, Jose; Loza, Maria I.; Gutierrez-de-Teran, Hugo; Sotelo, Eddy published the artcile< A Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists>, Computed Properties of 1003-32-3, the main research area is dihydrobenzoimidazopyrimidine carboxylate preparation SAR docking A2B adenosine receptor antagonist.

A systematic exploration of bioisosteric replacements for furan and thiophene cores in a series of potent A2BAR antagonists was carried out using the nitrogen-walk approach. A collection of 42 novel alkyl 4-substituted-2-methyl-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylates I [R = H, cyclopentyl, Ph, etc.; R1 = Et, i-Pr], which contain 18 different pentagonal heterocyclic frameworks at position 4, was synthesized and evaluated. This study enabled the identication of new ligands that combine remarkable affinity (Ki < 30 nM) and exquisite selectivity. The SAR trends identified were substantiated by a mol. modeling study, based on a receptor-driven docking model and including a systematic free energy perturbation (FEP) study. Preliminary evaluation of the CYP3A4 and CYP2D6 inhibitory activity in optimized ligands evidenced weak and negligible activity resp. The stereospecific interaction between hA2BAR and the eutomer of the most attractive novel antagonist (S)-II (Ki = 3.66 nM) was validated. Journal of Medicinal Chemistry published new progress about Adenosine A2B receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Computed Properties of 1003-32-3.

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

Delaunay, Dominique; Toupet, Loiec; Corre, Maurice Le published the artcile< Reactivity of β-Amino Alcohols with Carbon Disulfide Study on the Synthesis of 2-Oxazolidinethiones and 2-Thiazolidinethiones>, Safety of (S)-4-Benzylthiazolidine-2-thione, the main research area is oxazolidinethione thiazolidinethione preparation.

Reaction of carbon disulfide with β-amino alcs. was examined to determine parameters directing the cyclization to oxazolidinethiones or thiazolidinethiones. By operating in mild conditions, i.e. in a low alk. medium, for a limited reaction time and in the presence of a stoichiometric quantity of CS2, oxazolidinethiones were preferentially obtained. On the other hand, thiazolidinethiones were prepared under drastic conditions by operating in a more basic medium, with an excess of CS2 and for a long reaction time. The formation of thiazolidinethiones occurred with an inversion of configuration of the carbon bearing the oxygen; furthermore, conversion of oxazolidinethiones into thiazolidinethiones was in some cases possible.

Journal of Organic Chemistry published new progress about Amino alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Safety of (S)-4-Benzylthiazolidine-2-thione.

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

Muthal, Bn published the artcile< Transition metal ion CoII, NiII, CuII & ZnII complexes of tridentate ligands (NNO) their synthesis, characterization and biological activities>, Formula: C9H7N3O2S, the main research area is nitrophenylthiazole hydroxybenzylideneimine transition metal Schiff base preparation antibacterial antifungal.

A series of new Schiff bases were synthesized by combination of 4(-3-nitrophenyl) thiazol-2-amine with hydroxy aldehyde (R-H, 5CH3 and 5Cl). Schiff bases and their transition metal complexes where characterized by elemental anal., UV-visible, IR spectra, magnetic susceptibility and conductivity measurement. The transition metal complexes are monomeric and 1:2 stoichem. having octahedral geometry. The ligands coordinated through oxygen atom of phenolic -OH group and also from thiazole ring nitrogen. The Schiff bases and their metal complexes were screen for antibacterial and antifungal activity.

Pharma Innovation published new progress about Antibacterial agents. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Formula: C9H7N3O2S.

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

Knoppova, V.; Antos, K.; Drobnica, L.; Kristian, P. published the artcile< Isothiocyanates. XXX. Synthesis, ultraviolet, and infrared spectra of 3-substituted rhodanines>, Application of C10H9NOS2, the main research area is rhodanine derivative IR UV.

Twenty-five rhodanine derivatives I (R = Me, Bu, p-BrC6H4, Ph, p-MeC6H4, 1-naphthyl, etc.) were prepared by treating the appropriate RNHCS2- or RNCS with ClCH2CO2H and HSCH2CO2H, resp. The products were characterized by uv absorptions at ∼250 and ∼290 nm, and an ir signal at 1725-1728 cm-1. The effect of substituents on the spectra was discussed.

Chemicke Zvesti published new progress about IR spectra. 10574-69-3 belongs to class thiazole, and the molecular formula is C10H9NOS2, Application of C10H9NOS2.

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