Day: October 13, 2022

Yamada, S.; Misono, T.; Ichikawa, M.; Morita, C. published the artcile< Regio- and stereoselective synthesis of 1,4-dihydropyridines by way of an intramolecular interaction of a thiocarbonyl or carbonyl with a pyridinium nucleus>, Recommanded Product: (S)-4-Benzylthiazolidine-2-thione, the main research area is pyridine regioselective stereoselective preparation; thiocarbonyl interaction pyridinium; carbonyl interaction pyridinium; stereoselective regioselective nucleophilic addition acetal organometallic pyridinium salt; absolute configuration pyridine CD.

Chiral 1,4-dihydropyridines were prepared by the regio- and stereoselective addition of ketene silyl acetals and organometallic reagents to pyridinium salts. In the addition reaction, an intramol. interaction between the thiocarbonyl or carbonyl with the pyridinium nucleus plays an important role in bringing about the selectivities. The absolute configuration of the newly produced stereogenic center of the 1,4-dihydropyridines was determined by X-ray anal. and CD Cotton effects after conversion into the appropriate derivatives The working model for the stereoselectivity was proposed based on the ab initio calculations at the RHF/3-21G* level.

Tetrahedron published new progress about Absolute configuration. 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Recommanded Product: (S)-4-Benzylthiazolidine-2-thione.

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

Hebade, Madhav J.; Kamble, Rahul D.; Hese, Shrikant V.; Mogle, Pratima P.; Ambhore, Ajay N.; Kadam, Shuddhodan N.; Dawane, Bhaskar S. published the artcile< A rapid, mild, and efficient method for C-5 iodination/thiocyanation of 2-aminothiazoles>, HPLC of Formula: 57493-24-0, the main research area is green multitasking substitution iodination thiocyanation aminothiazole; iodo aminothiazole green preparation iodination; thiocyano aminothiazole green preparation thiocyanation.

An efficient, green, rapid multitasking protocol for the selective C-5 substitution of 2-aminothiazole using iodic acid and aqueous PEG-400 was developed. The method found suitable for C-5 substitution i.e. iodination and thiocyanation of 2-amino thiazole using iodine and ammonium thiocyanate resp. Iodic acid was found to be a good oxidant and aqueous PEG-400 as green reaction solvent.

Phosphorus, Sulfur and Silicon and the Related Elements published new progress about Cyanation, thiocyanation. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, HPLC of Formula: 57493-24-0.

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

Ung, Alison T.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H. published the artcile< Asymmetric synthesis of (1R,2S,3R)-2-acetyl-5-(1,2,3,4-tetrahydroxybutyl)thiazole>, Recommanded Product: Thiazole-5-carboxyaldehyde, the main research area is asym synthesis acetyltetrahydroxybutylthiazole; thiazole acetyltetrahydroxybutyl asym synthesis.

A method for preparing the thiazole analog I of the biol. active compound (1R,2S,3R)-2-acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole is reported.

Tetrahedron published new progress about Stereoselective synthesis. 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

Floyd, David M.; Stein, Philip; Wang, Zheng; Liu, Jian; Castro, Steve; Clark, Julie A.; Connelly, Michele; Zhu, Fangyi; Holbrook, Gloria; Matheny, Amy; Sigal, Martina S.; Min, Jaeki; Dhinakaran, Rajkumar; Krishnan, Senthil; Bashyum, Sridevi; Knapp, Spencer; Guy, R. Kiplin published the artcile< Hit-to-Lead Studies for the Antimalarial Tetrahydroisoquinolone Carboxanilides>, Synthetic Route of 1003-32-3, the main research area is tetrahydroisoquinolone carboxanilide preparation antimalarial structure activity.

Phenotypic whole-cell screening in erythrocytic co-cultures of Plasmodium falciparum identified a series of dihydroisoquinolones that possessed potent anti-malarial activity against multiple resistant strains of P. falciparum in vitro and show no cytotoxicity to mammalian cells. Systematic structure-activity studies revealed relationships between potency and modifications at N-2, C-3 and C-4. Careful structure-property relationship studies, coupled with studies of metabolism, addressed the poor aqueous solubility and metabolic vulnerability, as well as potential toxicol. effects, inherent in the more potent primary screening hits such as (I). Analogs (II) and (+)-SJ733 (13i), with structural modifications at each site, were shown to possess excellent anti-malarial activity in vivo. The (+)-(3S,4S) enantiomer of 13i and similar analogs were identified as the more potent. Based on these studies, the authors have selected (+)-13i for further study as a preclin. candidate.

Journal of Medicinal Chemistry published new progress about Antimalarials. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Synthetic Route of 1003-32-3.

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

Zhao, Shenghao; Pang, Kaining; Huang, Yaning; Xiao, Ning published the artcile< Special electrochemical behaviour of sodium thiazolinyl-dithiopropane sulphonate during microvia filling>, Electric Literature of 96-53-7, the main research area is sodium thiazolinyl dithiopropane sulfonate microvia filling.

In this work, galvanostatic measurements were employed to study the electrochem. behavior of thiazolinyl-dithiopropane sulfonate (SH110) in a copper plating process, which indicated that it had a critical concentration of 12.5 mg L-1. At this critical concentration, it would accelerate copper deposition at strong forced convection but inhibit copper deposition at weak forced convection. To get more insight into SH110, its potential decomposition products, 3-mercapto-1-propanesulfonate (MPS) and 2-thiazoline-2-thiol (H1), were also investigated. It was found that MPS always presented an acceleration effect with its concentration increasing, whereas H1, with a simple mol. structure, also had a critical concentration, which was 1.25 mg L-1. As expected, superfilling can be achieved by using H1 as the single additive. Finally, the interaction between SH110 and H1 was studied to prove the decomposition of SH110, as well as to illustrate its action mechanism.

Transactions of the IMF published new progress about Decomposition. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Electric Literature of 96-53-7.

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

Owczarzak, Agata; Dutkiewicz, Zbigniew; Kurczab, Rafal; Pietrus, Wojciech; Kubicki, Maciej; Grzeskiewicz, Anita M. published the artcile< Role of Staple Molecules in the Formation of S···S Contact in Thioamides: Experimental Charge Density and Theoretical Studies>, Formula: C3H5NS2, the main research area is thioamide contact staple mol.

The reasons behind the formation of S···S contacts in thioamides, the most important compounds with terminal sulfur atoms, were investigated by means of exptl. charge d. studies and theor. calculations As this interaction is to some extent similar to the much better-known halogen bond, geometrical anal. was performed using previously determined halogen bond formation criteria. To investigate the most representative thioamides, three compounds, namely, 6-aminothiouracil hydrate (ATU·H2O, 1), imidazolinethione (IMT, 2) and thiazolidinethione (TT, 3), were selected. In all three structures, relatively short S···S contacts displaying different geometries were observed Furthermore, different symmetry elements (mirror plane in ATU, inversion center in TT, and translation in IMT) determined the mutual orientation of the sulfur atoms in contact. The structural anal. and calculations proved that the isolated S•••S dimers are unstable and that they are stabilized by “”staple”” mols., which are any mols. present in the crystal structure that interact with both mols. forming the S···S contact. Several types of staple mols. were identified, differing in the area of interaction with the S···S dimer mol. The anal. of the data in the Cambridge Structural Database showed that the staple structures can be found in 77% of all structures with short S···S contacts (shorter than 3.4 Å) and in more than half of the structures with the contacts within the van der Waals radius limit. The calculations show that the smaller the distance between sulfur atoms in the S···S dimer, the greater the amount of energy needed for dimer stabilization. Consequently, the presence of a staple is essential.

Crystal Growth & Design published new progress about Bader electron density. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Formula: C3H5NS2.

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

Kobayashi, Naotake; Sato, Norihito; Fujimura, Yuko; Kihara, Tsuyoshi; Sugita, Katsuji; Takahashi, Kouji; Koike, Katsumi; Sugawara, Tamio; Tada, Yukio; Nakai, Hiroshi; Yoshikawa, Takayoshi published the artcile< Discovery of the Orally Effective Thyrotropin-Releasing Hormone Mimetic: 1-{N-[(4S,5S)-(5-Methyl-2-oxooxazolidine-4-yl)carbonyl]-3-(thiazol-4-yl)-L-alanyl}-(2R)-2-methylpyrrolidine Trihydrate (Rovatirelin Hydrate)>, Computed Properties of 1003-32-3, the main research area is TRH mimetics rovatirelin hydrate synthesis brain disease crystal structure.

We have explored orally effective TSH-releasing hormone (TRH) mimetics showing oral bioavailability and brain penetration by SAR study on the basis of in vivo antagonistic activity on reserpine-induced hypothermia in mice. By primary screening of the synthesized TRH mimetics, we found a novel TRH mimetic: L-pyroglutamyl-[3-(thiazol-4-yl)-L-alanyl]-L-prolinamide with high central nervous system (CNS) effect compared to TRH as a lead compound Further SAR optimization studies of this lead compound led to discovery of a novel orally effective TRH mimetic: 1-{N-[(4S,5S)-(5-methyl-2-oxooxazolidine-4-yl)carbonyl]-3-(thiazol-4-yl)-L-alanyl}-(2R)-2 -methylpyrrolidine trihydrate (Rovatirelin Hydrate), which was selected as a candidate for clin. trials.

ACS Omega published new progress about Bioavailability. 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

Shruthy, V. S.; Yusuf, Shakkeela published the artcile< In silico design, docking, synthesis and evaluation of thiazole Schiff bases>, Formula: C9H7N3O2S, the main research area is thiazole Schiff base preparation antiinflammatory anticancer protein kinase docking; cinnamaldehyde thiazole condensation.

A series of substituted Schiff base derivatives of 4-Ph thiazoles designed as anticancer and anti-inflammatory agents using computational methods was synthesized. The thiazole derivatives were selected based on docking studies performed on active site of protein tyrosine kinase (PDB :1T46) for anticancer activity and protein kinase (PDB :3DPK) for anti-inflammatory activity using Schrodinger 9.3 software. Mols. with better docking score was subjected to anal. for cytotoxic activity by in vitro MTT assay on cervical cancer HeLa cell lines and anti-inflammatory activity. Among the five thiazole derivatives, (4-(4-Methoxyphenyl)-N-3-phenylprop-2-en-1-ylidene-1,3-thiazol-2-amine) was found to have highest docking score and the same exhibited maximum in vitro cytotoxic and antiinflammatory activity. Thiazole schiff bases derivatives showed good antinflammatory and cytotoxic activity as predicted using mol. docking on resp. receptors.

International Journal of Pharmacy and Pharmaceutical Sciences published new progress about Anti-inflammatory agents. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Formula: C9H7N3O2S.

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

Billin, Andrew N.; Bantscheff, Marcus; Drewes, Gerard; Ghidelli-Disse, Sonja; Holt, Jason A.; Kramer, Henning F.; McDougal, Alan J.; Smalley, Terry L.; Wells, Carrow W.; Zuercher, William J.; Henke, Brad R. published the artcile< Discovery of Novel Small Molecules that Activate Satellite Cell Proliferation and Enhance Repair of Damaged Muscle>, Formula: C12H18N2O4S, the main research area is muscle regeneration.

Skeletal muscle progenitor stem cells (referred to as satellite cells) represent the primary pool of stem cells in adult skeletal muscle responsible for the generation of new skeletal muscle in response to injury. Satellite cells derived from aged muscle display a significant reduction in regenerative capacity to form functional muscle. This decrease in functional recovery has been attributed to a decrease in proliferative capacity of satellite cells. Hence, agents that enhance the proliferative abilities of satellite cells may hold promise as therapies for a variety of pathol. settings, including repair of injured muscle and age- or disease-associated muscle wasting. Through phenotypic screening of isolated murine satellite cells, we identified a series of 2,4-diaminopyrimidines (e.g., 2) that increased satellite cell proliferation. Importantly, compound 2 was effective in accelerating repair of damaged skeletal muscle in an in vivo mouse model of skeletal muscle injury. While these compounds were originally prepared as c-Jun N-terminal kinase 1 (JNK-1) inhibitors, structure-activity analyses indicated JNK-1 inhibition does not correlate with satellite cell activity. Screening against a broad panel of kinases did not result in identification of an obvious mol. target, so we conducted cell-based proteomics experiments in an attempt to identify the mol. target(s) responsible for the potentiation of the satellite cell proliferation. These data provide the foundation for future efforts to design improved small mols. as potential therapeutics for muscle repair and regeneration.

ACS Chemical Biology published new progress about Heterocyclic aromatic compounds Role: PAC (Pharmacological Activity), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 96929-05-4 belongs to class thiazole, and the molecular formula is C12H18N2O4S, Formula: C12H18N2O4S.

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

Scholz, Marek; Dedic, Roman; Miguel, Miriam; Lavilla, Rodolfo; Nonell, Santi published the artcile< Thiazolyl-substituted porphyrins as standards for singlet molecular oxygen photosensitization>, Category: thiazole, the main research area is thiazolyl substituted porphyrin derivative photophys singlet mol oxygen photosensitization.

Thiazolyl- and bithiazolyl-substituted porphyrins have been characterized to assess their potential as new standards for singlet mol. oxygen photosensitization. Their absorption, fluorescence, phosphorescence and triplet-triplet spectra are slightly red-shifted relative to those of tetraphenylporphine (TPP), a well-established singlet mol. oxygen standard Likewise, the singlet and triplet lifetimes, as well as the fluorescence quantum yields are roughly one order of magnitude smaller than those of TPP, while the triplet and singlet oxygen quantum yields increase concomitantly to ca. 1.

Journal of Porphyrins and Phthalocyanines published new progress about Delayed fluorescence. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Category: thiazole.

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