Day: October 17, 2022

Ho, Ginny D.; Michael Seganish, W.; Bercovici, Ana; Tulshian, Deen; Greenlee, William J.; Van Rijn, Rachel; Hruza, Alan; Xiao, Li; Rindgen, Diane; Mullins, Deborra; Guzzi, Mario; Zhang, Xiaoping; Bleickardt, Carina; Hodgson, Robert published the artcile< The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia>, Quality Control of 1003-32-3, the main research area is phosphodiesterase inhibitor schizophrenia dihydroimidazoisoquinoline derivative preparation SAR.

The identification of potent and orally active dihydroimidazoisoquinolines as PDE 10A inhibitors is reported. The SAR development led to the discovery of compound 35 (I) as a potent, selective, and orally active PDE10A inhibitor. Compound 35 inhibited MK-801-induced hyperactivity at 3 mg/kg and displayed a 10-fold separation between the minimal EDs for inhibition of MK-801-induced hyperactivity and hypolocomotion in rats.

Bioorganic & Medicinal Chemistry Letters published new progress about Antipsychotics. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Quality Control of 1003-32-3.

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

Mitiouchkina, Tatiana; Mishin, Alexander S.; Somermeyer, Louisa Gonzalez; Markina, Nadezhda M.; Chepurnyh, Tatiana V.; Guglya, Elena B.; Karataeva, Tatiana A.; Palkina, Kseniia A.; Shakhova, Ekaterina S.; Fakhranurova, Liliia I.; Chekova, Sofia V.; Tsarkova, Aleksandra S.; Golubev, Yaroslav V.; Negrebetsky, Vadim V.; Dolgushin, Sergey A.; Shalaev, Pavel V.; Shlykov, Dmitry; Melnik, Olesya A.; Shipunova, Victoria O.; Deyev, Sergey M.; Bubyrev, Andrey I.; Pushin, Alexander S.; Choob, Vladimir V.; Dolgov, Sergey V.; Kondrashov, Fyodor A.; Yampolsky, Ilia V.; Sarkisyan, Karen S. published the artcile< Plants with genetically encoded autoluminescence>, Product Details of C11H8N2O3S2, the main research area is Nicotiana leaf caffeic acid hispidin synthase signaling bioluminescence imaging.

Abstract: Autoluminescent plants engineered to express a bacterial bioluminescence gene cluster in plastids have not been widely adopted because of low light output. We engineered tobacco plants with a fungal bioluminescence system that converts caffeic acid (present in all plants) into luciferin and report self-sustained luminescence that is visible to the naked eye. Our findings could underpin development of a suite of imaging tools for plants.

Nature Biotechnology published new progress about Bioluminescent imaging. 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

Rezania, Jafar; Behzadi, Hadi; Shockravi, Abbas; Ehsani, Morteza; Akbarzadeh, Elahe published the artcile< Synthesis and DFT calculations of some 2-aminothiazoles>, Name: 2-Amino-4-(3-nitrophenyl)thiazole, the main research area is aminothiazole preparation green chem DFT calculation; ketone aryl thiourea cyclization iodine catalyst.

A series of 2-aminothiazole derivatives I (R = C6H5, 3-pyridyl, 3-O2NC6H4, etc.) has been synthesized by the reaction of acetyl compounds RC(O)CH3 with thiourea and iodine as catalyst under solvent-free condition, a green chem. method. The quantum chem. calculations at the DFT/B3LYP level of theory in gas phase were carried out for starting acetyl derivatives The HOMO and LUMO and related reactivity descriptor of acetyl derivatives, as well as, enthalpy of reactions are calculated in order to investigate the reaction properties of acetyl compounds and yields of the reactions. The calculated reactivity descriptors are well correlated to activity of different acetyl derivatives

Journal of Molecular Structure published new progress about Alkyl aryl ketones Role: PRP (Properties), RCT (Reactant), RACT (Reactant or Reagent). 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Name: 2-Amino-4-(3-nitrophenyl)thiazole.

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

Uppal, Archana; Kothiyal, Preeti; Singh, Anita published the artcile< Hybrid Class Phenylthiazole and 1,2,3,4-Tetrahydronaphthalene Target Sertraline Transporter for Antidepressant Action Revealed by Molecular Docking Studies>, Recommanded Product: 2-Amino-4-(3-nitrophenyl)thiazole, the main research area is phenylthiazolyltetrahydronaphthalene derivative preparation antidepressant activity; epoxytetrahydronaphthalene preparation amine addition.

Phenylthiazolyl-substituted 1,2,3,4-tetrahydronaphthalene derivatives e. g., I, were synthesized, and their chem. structures were elucidated by Fourier transform IR, 1H-NMR, 13C-NMR spectral data and elemental analyses. Antidepressant-like activities of these compounds were screened using both Porsolt’s behavioral despair on albino mice and tail suspension tests. Open field test was also performed for the examination of probable neurol. deficits, which may interfere with the test results. The test compounds exhibited different levels of antidepressant activities. Addnl., the key ligand was further substantiated by docking experiment to explore plausible mode of binding in mol. dynamics overflow. The studies elucidates role of a hydrophilic H-bonding region and pi-cation binding as a major driving force for biol. activity.

Journal of Heterocyclic Chemistry published new progress about Addition reaction. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Recommanded Product: 2-Amino-4-(3-nitrophenyl)thiazole.

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

Jiang, Xingyu; Beiger, Jason J.; Hartwig, John F. published the artcile< Stereodivergent Allylic Substitutions with Aryl Acetic Acid Esters by Synergistic Iridium and Lewis Base Catalysis>, HPLC of Formula: 1003-32-3, the main research area is stereodivergent allylic substitution iridium Lewis base; chiral allyl arylacetic ester preparation mol crystal structure; iridium Lewis base stereodivergent allylic substitution synergistic catalyst.

The preparation of all possible stereoisomers of a given chiral mol. bearing multiple stereocenters by a simple and unified method is a significant challenge in asym. catalysis. We report stereodivergent allylic substitutions with aryl acetic acid esters catalyzed synergistically by a metallacyclic iridium complex and benzotetramisole. Through permutations of the enantiomers of the two chiral catalysts, all four stereoisomers of the products bearing two adjacent stereocenters, e.g., I, are accessible with high diastereoselectivity and enantioselectivity. The resulting chiral activated ester products can be converted readily to enantioenriched amides, unactivated esters, and carboxylic acids in a one-pot manner.

Journal of the American Chemical Society published new progress about Allylic substitution reaction (stereoselective). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, HPLC of Formula: 1003-32-3.

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

Ogawa, Haruhisa; Ono, Ryohei; Noguchi, Yoshifumi; Kitada, Nobuo; Saito-Moriya, Ryohei; Maki, Shojiro A.; Akiyama, Hidefumi; Itabashi, Hideyuki; Hiyama, Miyabi published the artcile< Absorption Spectra for Firefly Bioluminescence Substrate Analog: TokeOni in Various pH Solutions>, Reference of 2591-17-5, the main research area is AkaLumine TokeOni protonation dissociation constant UV spectrum.

AkaLumine hydrochloride, named TokeOni, is one of the firefly luciferin analogs, and its reaction with firefly luciferase produces near-IR (NIR) bioluminescence. Prior to studying the bioluminescence mechanism, basic knowledge about the chem. structures, electronic states, and absorption properties of TokeOni at various pH values of solution has to be acquired. In this paper, the absorption spectra for TokeOni and AkaLumine at pH 2-10 were measured. D. functional theory (DFT) calculations, time-dependent DFT calculations, and the vibrational analyses were carried out. The absorption spectra indicate that the chem. forms of TokeOni in solutions are same as those of AkaLumine. The peaks at pH 7-10 in the absorption spectra correspond to the excitation from the ground state of a carboxylate anion of AkaLumine, the peak at pH 2 corresponds to the excitation from the ground state of a carboxylate anion with an N-protonated thiazoline ring and N-protonated dimethylamino group of AkaLumine, and the peak at pH 4 corresponds to the excitation from the ground state of a carboxylate anion with an N-protonated thiazoline ring of AkaLumine.

Photochemistry and Photobiology published new progress about Bioluminescence. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Reference of 2591-17-5.

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

Kikelj, D.; Urleb, U. published the artcile< Product class 17: thiazoles>, Application of C4H3NOS, the main research area is review thiazole preparation.

A review of synthetic methods to prepare thiazoles as well as reactive modifications of thiazole moieties.

Science of Synthesis published new progress about Cyclization. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Application of C4H3NOS.

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

Kozikowski, Alan P.; Chen, Yufeng; Gaysin, Arsen M.; Savoy, Doris N.; Billadeau, Daniel D.; Kim, Ki Hwan published the artcile< Chemistry, biology, and QSAR studies of substituted biaryl hydroxamates and mercaptoacetamides as HDAC inhibitors-nanomolar-potency inhibitors of pancreatic cancer cell growth>, Recommanded Product: 2-Amino-4-(3-nitrophenyl)thiazole, the main research area is histone deacetylase inhibitor biaryl hydroxamate mercaptoacetamide preparation QSAR; pancreatic cancer inhibitor biaryl hydroxamate mercaptoacetamide preparation QSA.

The histone deacetylases (HDACs) are able to regulate gene expression, and inhibitors of the HDACs (HDACIs) hold promise in the treatment of cancer as well as a variety of neurodegenerative diseases. To investigate the potential for isoform selectivity in the inhibition of HDACs, we prepared a small series of 2,4′-diaminobiphenyl ligands functionalized at the para-amino group with an appendage containing either a hydroxamate or a mercaptoacetamide group and coupled to an amino acid residue at the ortho-amino group. A smaller series of substituted phenylthiazoles was also explored. Some of these newly synthesized ligands show low-nanomolar potency in HDAC inhibition assays and display micromolar to low-nanomolar IC50 values in tests against five pancreatic cancer cell lines. The isoform selectivity of these ligands for class I HDACs (HDAC1-3 and 8) and class IIb HDACs (HDAC6 and 10) together with QSAR studies of their correlation with lipophilicity are presented. Of particular interest is the selectivity of the mercaptoacetamides for HDAC6.

ChemMedChem published new progress about Antitumor agents. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Recommanded Product: 2-Amino-4-(3-nitrophenyl)thiazole.

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

Sparrow, Kevin John; Carley, Sarah; Sohnel, Tilo; Barker, David; Brimble, Margaret A. published the artcile< Studies towards development of asymmetric double-Mannich reactions of chiral 2-oxocyclohexanecarboxylate derivatives with bis(aminol)ethers>, Related Products of 171877-39-7, the main research area is azabicyclooctanecarboxylic acid imide ester preparation; nonracemic oxazolidinone imide ester oxocyclohexanecarboxylic acid preparation Mannich reaction; erbium lanthanum catalyst double Mannich reaction oxocyclohexanecarboxylate aminol ether; double Mannich reaction nonracemic oxazolidinone imide ester oxocyclohexanecarboxylic acid; azabicyclooctanecarbonyl methylphenyloxazolidinone mol crystal structure.

An improved method for the double-Mannich reaction of β-ketoesters and bis(aminol)ethers (EtOCH2)2NR (R = Et, PhCH2) in the presence of Er(OTf)3 or La(OTf)3 was developed. Esters of 2-oxocyclohexanecarboxylic acid with 8-phenylmenthol, pantolactone, and trans-2-phenylcyclohexanol and imides with norephedrine-, (S)-phenylalaninol-, and (S)-α,α-diphenylvalinol-derived oxazolidinones and oxazolidinethiones were prepared Double Mannich reaction of EtN(CH2OEt)2 with the oxocyclohexanecarboxylic acid esters and imides yielded mixtures of azabicyclooctanecarboxylic acid ester and imide diastereomers. The oxocyclohexanecarboxylic acid imide with a norephedrine-derived oxazolidinone and its derived azabicyclooctanecarboxylic acid imide product were separated into their diastereomers; the structures of both reactant imide diastereomers and the major azabicyclooctanecarboxylic acid imide diastereomer were assigned by X-ray crystallog.

Tetrahedron published new progress about Chiral auxiliary. 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Related Products of 171877-39-7.

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