Month: October 2022

Wei, Yuan; Lang, Xiaolong; Hore, Michael J. A. published the artcile< A correspondence between the Flory-Rehner theory for microgels and the Daoud-Cotton model for polymer-grafted nanoparticles>, Synthetic Route of 96-53-7, the main research area is Flory Rehner microgel Daoud Cotton model polymer grafted nanoparticle.

Poly(N-iso-Pr acrylamide) (PNIPAM) is a commonly investigated thermoresponsive polymer that exhibits a number of interesting phys. behaviors. Here, we use small-angle neutron scattering (SANS) measurements to determine the conformation of PNIPAM in two regions of the chain when it is grafted at moderate grafting densities to the surface of SiO2 nanoparticles (rNP ≈ 10 nm). At these grafting densities, polymer chains may adopt two primary conformations, depending on the specific value of the second virial coefficient, the mol. weight of the chains, and other properties. The nanoparticles are studied in D2O and ethanol-d6 to ascertain the effect of solvent quality on the chain conformation in both the inner and outer regions of the brush. The SANS measurements are interpreted using a modified Daoud-Cotton model that connects the Flory-Rehner theory of microgel thermodn. to the structure of polymer-grafted nanoparticles. (c) 2020 American Institute of Physics.

Journal of Applied Physics (Melville, NY, United States) published new progress about Hydrodynamic radius. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Synthetic Route of 96-53-7.

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

Chen, Fei; Chai, Hui; Su, Ming-Bo; Zhang, Yang-Ming; Li, Jia; Xie, Xin; Nan, Fa-Jun published the artcile< Potent and Orally Efficacious Bisthiazole-Based Histone Deacetylase Inhibitors>, Quality Control of 31825-95-3, the main research area is bisthiazole histone deacetylase inhibitor preparation evaluation exptl autoimmune encephalomyelitis; Histone deacetylase inhibitors; bisthiazole; largazole.

Inspired by the thiazole-thiazoline cap group in natural product largazole, a series of structurally simplified bisthiazole-based histone deacetylase inhibitors was prepared and evaluated. Compound I was evaluated in vivo in an exptl. autoimmune encephalomyelitis (EAE) model and found to be orally efficacious in ameliorating clin. symptoms of EAE in mice.

ACS Medicinal Chemistry Letters published new progress about Experimental allergic encephalomyelitis (model for multiple sclerosis). 31825-95-3 belongs to class thiazole, and the molecular formula is C5H6N2OS, Quality Control of 31825-95-3.

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

Diop, Aboubacar; Diop, Tidiane; Kama, Antoine Blaise; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay published the artcile< Catena-Poly[[chloridotris(1,3-thiazolidine-2-thione-κS)cadmium(II)]-μ-chlorido]>, Safety of 4,5-Dihydrothiazole-2-thiol, the main research area is catena polychloridotris thiazolidine thione cadmium chlorido crystal structure.

The synthesis and characterization of poly[dichloridotri(1,3-thiazolidine-2-thione)cadmium(II)], [CdCl2(C3H5NS2)3]n, prepared from CdCl2·H2O and C3H5NS2 (tzdSH) in a 1:3 ratio, are described. The CdII cation is coordinated by three 1,3-thiazolidine-2-thione mols. and three Cl- anions in a distorted octahedral environment. The Cd metal centers are connected via Cl- ligands, creating polymeric chains running along the a-axis direction. The conformation of the chains is stabilized by N-H···Cl hydrogen bonds.

IUCrData published new progress about Asymmetry. 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

Velagapudi, Uday Kiran; Langelier, Marie-France; Delgado-Martin, Cristina; Diolaiti, Morgan E.; Bakker, Sietske; Ashworth, Alan; Patel, Bhargav A.; Shao, Xuwei; Pascal, John M.; Talele, Tanaji T. published the artcile< Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity>, Name: 4-(Thiazol-2-yl)benzaldehyde, the main research area is PARP inhibitor anticancer drug crystal structure adenosine breast cancer.

Poly(ADP-ribose) polymerase (PARP) inhibitors are a class of anticancer drugs that block the catalytic activity of PARP proteins. Optimization of our lead compound 1 ((Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-7-carboxamide; PARP-1 IC50 = 434 nM) led to a tetrazolyl analog (51, IC50 = 35 nM) with improved inhibition. Isosteric replacement of the tetrazole ring with a carboxyl group (60, IC50 = 68 nM) gave a promising new lead, which was subsequently optimized to obtain analogs with potent PARP-1 IC50 values (4-197 nM). PARP enzyme profiling revealed that the majority of compounds are selective toward PARP-2 with IC50 values comparable to clin. inhibitors. X-ray crystal structures of the key inhibitors bound to PARP-1 illustrated the mode of interaction with analog appendages extending toward the PARP-1 adenosine-binding pocket. Compound 81, an isoform-selective PARP-1/-2 (IC50 = 30 nM/2 nM) inhibitor, demonstrated selective cytotoxic effect toward breast cancer gene 1 (BRCA1)-deficient cells compared to isogenic BRCA1-proficient cells.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 198904-53-9 belongs to class thiazole, and the molecular formula is C10H7NOS, Name: 4-(Thiazol-2-yl)benzaldehyde.

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

Parkanyi, Cyril; Vernin, Gaston; Zamkostian, Rose Marie; Metzger, Jacques published the artcile< Photolysis of bromothiazoles in hydrogen-donating solvents. A theoretical study and physical properties of bromothiazoles>, Product Details of C3HBrClNS, the main research area is photodebromination bromothiazole mechanism; NMR proton bromothiazole; UV bromothiazole fluorescence phosphorescence; mass spectra bromothiazole.

A PPP treatment and UV, fluorescence, phosphorescence, and 1H NMR indicate that the photodebromination of bromothiazoles (to give thiazole and isothiazole) in H-donating solvents involves C-Br bond homolysis in the first excited singlet state to give a thiazolyl radical which abstracts H. In the presence of amines the mechanism involves an electron transfer to form an exciplex in which the bromothiazole anion radical loses Br- to give the thiazolyl radical. The photodebromination reactivity order, 2-bromothiazole > 5-bromothiazole ≫ 4-bromothiazole, reflects the ground state C-Br bond strengths; this is supported by the mass spectra of the bromothiazoles.

Heterocycles published new progress about Electronic excitation. 3034-56-8 belongs to class thiazole, and the molecular formula is C3HBrClNS, Product Details of C3HBrClNS.

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

Devi, N. S.; Devi, Nirada published the artcile< Catalyst-free aldol reaction of N-substituted rhodanines on aqueous media>, Quality Control of 10574-69-3, the main research area is rhodanine aryl aldehyde aldol reaction green chem water.

Herein, aldol reaction of N-substituted rhodanines and aromatic aldehydes on water is described. The reaction was performed at room temperature affording the products I (R1 = Me, Ph, PhCH2, 4-MeOC6H4CH2; R2 = 4-ClC6H4, 2-O2NC6H4, 3-O2NC6H4, 4-O2NC6H4, 4-NCC6H4) in good to high yields. This synthetic protocol uses simple exptl. procedures, is catalyst-free, and avoids the use of highly toxic solvents.

Journal of Chemical Sciences (Berlin, Germany) published new progress about Aldol addition. 10574-69-3 belongs to class thiazole, and the molecular formula is C10H9NOS2, Quality Control of 10574-69-3.

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

Qin, Xurong; Feng, Boya; Dong, Jiaxing; Li, Xiaoyu; Xue, Ying; Lan, Jingbo; You, Jingsong published the artcile< Copper(II)-catalyzed dehydrogenative cross-coupling between two azoles>, Category: thiazole, the main research area is biazole preparation; azole dehydrogenative coupling copper catalyst.

The copper(II)-catalyzed dehydrogenative coupling between two different azoles for the preparation of unsym. biazoles e. g., I has been developed. The current catalytic system can effectively control the chemoselectivity for heterocoupling over homocoupling.

Journal of Organic Chemistry published new progress about Heterocyclic compounds, nitrogen-oxygen Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, Category: thiazole.

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

Saito-Moriya, Ryohei; Nakayama, Jun; Kamiya, Genta; Nobuo Kitada; Obata, Rika; Maki, Shojiro A.; Aoyama, Hiroshi published the artcile< How to select firefly luciferin analogues for in vivo imaging>, Application of C11H8N2O3S2, the main research area is review bioluminescence firefly luciferin analog imaging; bioluminescence imaging; high sensitivity; luciferase; luciferin analogue; multicolor; near-infrared light.

A review. Bioluminescence reactions are widely applied in optical in vivo imaging in the life science and medical fields. Such reactions produce light upon the oxidation of a luciferin (substrate) catalyzed by a luciferase (enzyme), and this bioluminescence enables the quantification of tumor cells and gene expression in animal models. Many researchers have developed single-color or multicolor bioluminescence systems based on artificial luciferin analogs and/or luciferase mutants, for application in vivo bioluminescence imaging (BLI). In the current review, we focus on the characteristics of firefly BLI technol. and discuss the development of luciferin analogs for high-resolution in vivo BLI. In addition, we discuss the novel luciferin analogs TokeOni and seMpai, which show potential as high-sensitivity in vivo BLI reagents.

International Journal of Molecular Sciences published new progress about Bioluminescent imaging. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Application of C11H8N2O3S2.

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

Yu, Ming; Lizarzaburu, Mike; Motani, Alykhan; Fu, Zice; Du, Xiaohui; Liu, Jiwen; Jiao, Xianyun; Lai, SuJen; Fan, Peter; Fu, Angela; Liu, Qingxiang; Murakoshi, Michiko; Nara, Futoshi; Oda, Kozo; Okuyama, Ryo; Reagan, Jeff D.; Watanabe, Nobuaki; Yamazaki, Mami; Xiong, Yumei; Zhang, Ying; Zhuang, Run; Lin, Daniel C.-H.; Houze, Jonathan B.; Medina, Julio C.; Li, Leping published the artcile< Aminopyrazole-Phenylalanine Based GPR142 Agonists: Discovery of Tool Compound and in Vivo Efficacy Studies>, SDS of cas: 1003-32-3, the main research area is amrinone phenylalanine carboxylic acid preparation GPR142 agonist structure design; pharmacokinetics bioavailability diabetes amrinone phenylalanine carboxylic acid antidiabetic prodrug; glucose tolerance insulin secretagogue human islet transplant CYP450 hERG; GPR142 agonist; aminopyrazole−phenylalanine; human islet transplant; insulin secretagogue; oral glucose tolerance test; prodrug; type 2 diabetes.

Herein, we report the lead optimization of amrinone-phenylalanine based GPR142 agonists. Structure-activity relationship studies led to the discovery of aminopyrazole-phenylalanine carboxylic acid I, which exhibited good agonistic activity, high target selectivity, desirable pharmacokinetic properties, and no cytochrome P 450 or hERG liability. Compound I, together with its orally bioavailable Et ester prodrug II, were found to be suitable for in vivo proof-of-concept studies. Compound II displayed good efficacy in a mouse oral glucose tolerance test (OGTT). CompoundI showed GPR142 dependent stimulation of insulin secretion in isolated mouse islets and demonstrated a statistically significant glucose lowering effect in a mouse model bearing transplanted human islets.

ACS Medicinal Chemistry Letters published new progress about Antidiabetic agents. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, SDS of cas: 1003-32-3.

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

Shvets, A. A.; Nelyubina, Yu. V.; Lyssenko, K. A.; Kurbatov, S. V. published the artcile< Synthesis of bis-spiro-fused thiapyrrolizidinooxindoles by 1,3-dipolar cycloaddition>, Product Details of C10H9NOS2, the main research area is thiaproline azomethine ylide arylidenerhodanine regioselective diastereoselective dipolar cycloaddition; spiro thiapyrrolizidine oxindole regioselective diastereoselective preparation.

The 1,3-dipolar cycloaddition of an unstabilized azomethine ylide, generated in situ from isatin and thiaproline, to arylidene derivatives of rhodanine affords bis-spiro-fused thiapyrrolizidinooxindoles. The 1,3-dipolar addition reactions under consideration are fully regio- and diastereoselective.

Russian Chemical Bulletin published new progress about 1,3-Dipolar cycloaddition reaction (stereoselective). 10574-69-3 belongs to class thiazole, and the molecular formula is C10H9NOS2, Product Details of C10H9NOS2.

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