Day: October 14, 2022

Kirubakaran, Sivapriya; Gorla, Suresh Kumar; Sharling, Lisa; Zhang, Minjia; Liu, Xiaoping; Ray, Soumya S.; MacPherson, Iain S.; Striepen, Boris; Hedstrom, Lizbeth; Cuny, Gregory D. published the artcile< Structure-activity relationship study of selective benzimidazole-based inhibitors of Cryptosporidium parvum IMPDH>, Recommanded Product: Thiazole-5-carboxyaldehyde, the main research area is benzimidazole inhibitor Cryptosporidium parvum IMPDH preparation SAR antiparasitic activity.

Cryptosporidium parasites are important waterborne pathogens of both humans and animals. The Cryptosporidium parvum and Cryptosporidium hominis genomes indicate that the only route to guanine nucleotides is via IMP dehydrogenase (IMPDH). Thus the inhibition of the parasite IMPDH presents a potential strategy for treating Cryptosporidium infections. A selective benzimidazole-based inhibitor of C. parvum IMPDH (CpIMPDH) was previously identified in a high throughput screen. Herein is reported a structure-activity relationship study of benzimidazole-based compounds that resulted in potent and selective inhibitors of CpIMPDH. Several compounds display potent antiparasitic activity in vitro.

Bioorganic & Medicinal Chemistry Letters published new progress about Cryptosporidiosis. 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

Puhakka, Emmi; Santala, Ville published the artcile< Method for acrylic acid monomer detection with recombinant biosensor cells for enhanced plastic degradation monitoring from water environments>, Application In Synthesis of 2591-17-5, the main research area is acrylic acid monomer detection plastic degradation; Acrylic acid; Biosensor cells; Monomer detection; Plastic degradation; Poly(acrylic acid); Water environments.

Plastic debris degrades in the water environments due to various factors such as mech. stress. Small-sized degradation products, including plastic monomers, are currently monitored using equipment which might be unsuitable for screening. Here, we developed a recombinant whole-cell bacterial biosensor, which could be used for this type of monitoring. The Escherichia coli pBAV1K-ACU-lucFF cells contain a luciferase-based reporter system under the control of acrylic acid specific promoter. The biosensor cells were used to detect acrylic acid monomers from both sterile water and spiked lake water samples, indicating usability with environmental samples. Furthermore, poly(acrylic acid) was incubated in salt water, and the biosensor cells could identify acrylic acid monomers originating from it. Thus, the cells could be used to observe similar processes in the environment. The results show that the bacterial biosensors could complement the current research methods of plastic monomer monitoring in water environments with a potential for higher throughputs.

Marine Pollution Bulletin published new progress about Actinomyces kanamycini. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Application In Synthesis of 2591-17-5.

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

Ryu, Se Hwan; Ra, Jongmin; Ko, Haye Min published the artcile< Efficient Synthesis of Sulfenamides through Mitsunobu-type Coupling Reaction of Thiols with Amines using Dibenzyl Azodicarboxylate>, Quality Control of 96-53-7, the main research area is sulfenamide preparation; thiol amine Mitsunobu coupling; disulfides preparation.

S-H activation reaction of thiols employing dibenzyl azodicarboxylate (DBAD) had been developed for the preparation of sulfenamides I [R = H; R1 = Et, Bn, cyclopropyl, cyclopentyl, cyclohexyl; RR1 = (CH2)4, (CH2)6, (CH2)2O(CH2)2, etc.; X = O, S]. The dehydrogenation of thiols and amines under these reaction conditions involved the formation of dibenzyl hydrazine-1,2-dicarboxylate, which led to the S-N bond formation reaction. The reaction proceeded efficiently with release of dibenzyl hydrazine-1,2-dicarboxylate and afforded various sulfenamides I in good to excellent yields.

Asian Journal of Organic Chemistry published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Quality Control of 96-53-7.

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

Yadav, Jhillu S.; Kumar, Veerjala Naveen; Rao, Ramisetti Srinivasa; Srihari, Pabbaraja published the artcile< A concise stereoselective total synthesis of herbarumin III>, Computed Properties of 171877-39-7, the main research area is herbarumin III asym total synthesis.

A stereoselective total synthesis of the phytotoxic compound herbarumin III was achieved by utilizing Crimmins’ aldol approach, 1,3-syn asym. reduction, and an olefin metathesis reaction as the key steps.

Synthesis published new progress about Aldol addition (stereoselective). 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Computed Properties of 171877-39-7.

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

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