Tag: M.W=100-150

Vulpetti, Anna; Casale, Elena; Roletto, Fulvia; Amici, Raffaella; Villa, Manuela; Pevarello, Paolo published the artcile< Structure-based drug design to the discovery of new 2-aminothiazole CDK2 inhibitors>, Application of C6H10N2S, the main research area is CDK2 inhibitor aminothiazole drug design crystal structure.

N-(5-Bromo-1,3-thiazol-2-yl)butanamide (compound 1) was found active (IC50 = 808 nM) in a high throughput screening (HTS) for CDK2 inhibitors. By exploiting crystal structures of several complexes between CDK2 and inhibitors and applying structure-based drug design (SBDD), we rapidly discovered a very potent and selective CDK2 inhibitor 4-[(5-isopropyl-1,3-thiazol-2-yl)amino] benzenesulfonamide (compound 4, IC50 = 20 nM). The syntheses, structure-based analog design, kinases inhibition data and x-ray crystallog. structures of CDK2/inhibitor complexes are reported.

Journal of Molecular Graphics & Modelling published new progress about Crystal structure. 101080-15-3 belongs to class thiazole, and the molecular formula is C6H10N2S, Application of C6H10N2S.

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

Ostrovskii, Vladimir S.; Beletskaya, Irina P.; Titanyuk, Igor D. published the artcile< Trifluoroacetaldehyde N-Tosylhydrazone as a Precursor of Trifluorodiazoethane in Reactions of Insertion into the Heteroatom-Hydrogen Bond>, Synthetic Route of 96-53-7, the main research area is trifluoroacetaldehyde tosylhydrazone trifluorodiazoethane insertion reaction copper catalyst.

Trifluorodiazoethane is a widely explored trifluoroethylating reagent, which is suitable for the preparation of a large number of fluorine-containing organic mols. Nevertheless, CF3CHN2 has some disadvantages, such as volatility, storage instability, toxicity, and explosiveness. Herein, the application of trifluoroacetaldehyde N-tosylhydrazone as a CF3CHN2 precursor capable of generating in situ trifluorodiazoethane under mild basic conditions is reported. Copper-catalyzed P-H, O-H, S-H, and C-H insertion reactions of trifluoroacetaldehyde N-tosylhydrazone revealed its wide applicability in the synthesis of trifluoroethyl-containing substances.

Organic Letters published new progress about Carboxylic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Jaffett, Victor A.; Nerurkar, Alok; Cao, Xufeng; Guzei, Ilia A.; Golden, Jennifer E. published the artcile< Telescoped synthesis of C3-functionalized (E)-arylamidines using Ugi-Mumm and regiospecific quinazolinone rearrangements>, Application In Synthesis of 1003-32-3, the main research area is arylamidine stereoselective preparation; azidobenzoic acid isocyanide aldehyde bismethylaminoethane Ugi Mumm regiospecific rearrangement.

An efficient four-step, six-transformation protocol was developed to afford bioactive N-alkyl- or N-arylamide (E)-arylamidines I (R1 = Cy, 4-OMeC6H4, i-Pr, etc.; R2 = i-Pr, i-Bu, H, etc.; R3 = H, 5-CH3, 5-F, etc.) featuring strategic amidine C3 modifications which were inaccessible or low yielding by previous methods. This synthetic approach, exemplified with 24 amidines and requiring only a single purification, highlights a multicomponent Ugi-Mumm rearrangement to afford highly diversified quinazolinones which undergo regiospecific rearrangement to afford new amidines. The method extensively broadens the structural scope of this new class of trisubstituted amidines and demonstrates the tolerance of regional C3 amidine steric bulk, visualized with X-ray crystallog. anal.

Organic & Biomolecular Chemistry published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Application In Synthesis of 1003-32-3.

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

Kerdesky, Francis A. J.; Seif, Louis S. published the artcile< Catalytic hydrogenation of halothiazoles>, Related Products of 1003-32-3, the main research area is halothiazole hydrogenation dechlorination palladium catalyst.

The hydrogenation of halothiazoles I (R = R1 = H, R2 = Br; R = R1 = Br, R2 = H; R = R2 = Br, Cl, R1 = CHO, CH2OH) to I (R = R2 = H, R1 = H, CHO, CH2OH) is described. The best results were obtained utilizing 10% palladium on carbon as catalyst at four atmospheres of pressure with the bromide derivatives

Synthetic Communications published new progress about Dechlorination. 1003-32-3 belongs to class thiazole, and the molecular formula is C4H3NOS, Related Products of 1003-32-3.

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

Geary, Gemma C.; Nortcliffe, Andrew; Pearce, Christopher A.; Hamza, Daniel; Jones, Geraint; Moody, Christopher J. published the artcile< Densely functionalised spirocyclic oxetane-piperidine scaffolds for drug discovery>, Recommanded Product: Thiazole-5-carboxyaldehyde, the main research area is spirocyclic oxetane piperidine scaffold preparation rearrangement gold catalyst.

A spirocyclic, sp3-atom rich oxetane-containing scaffold was synthesized in just two steps via a gold catalyzed propargylic alc. rearrangement. The key gold cyclization can be undertaken on a 40 g scale allowing the preparation of 419 lead-like compounds based on the scaffold for the European Lead Factory.

Bioorganic & Medicinal Chemistry published new progress about Oxetanes Role: SPN (Synthetic Preparation), PREP (Preparation) (spirocyclic). 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

Abbas, Zaid M.; Tawfilas, Massimo; Khani, Mohammed M.; Golian, Karl; Marsh, Zachary M.; Jhalaria, Mayank; Simonutti, Roberto; Stefik, Morgan; Kumar, Sanat K.; Benicewicz, Brian C. published the artcile< Reinforcement of polychloroprene by grafted silica nanoparticles>, Product Details of C3H5NS2, the main research area is reinforcement polychloroprene grafted silica nanoparticle.

Reversible addition-fragmentation chain transfer polymerization of chloroprene on the surface of silica nanoparticles was performed to obtain polychloroprene-grafted-silica nanoparticles (PCP-g-SiO2 NPs). These particles were dispersed in a com. polychloroprene matrix to obtain PCP nanocomposites with different silica core loadings (1, 5, 10, and 25 wt%). Two different chain graft densities were studied (“”low,”” 0.022 ch/nm2 and “”high,”” 0.21 ch/nm2) as a function of the grafted polymer mol. mass. The cured samples showed significant improvement in the mech. properties of the PCP rubber nanocomposites as compared to the unfilled PCP as measured by standard tensile and dynamic mech. anal. even with low silica content. The mech. properties of the nanocomposites were notably enhanced when the graft d. was low and grafted mol. masses were high. Transmission electron microscopy (TEM) and Small-Angle X-ray Scattering (SAXS) were used to analyze the dispersion states of the grafted nanoparticles which confirmed the correlation between high grafted chain lengths and improved dispersion states and mech. properties.

Polymer published new progress about Crosslink density. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Product Details of C3H5NS2.

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

Curreli, Francesca; Ahmed, Shahad; Benedict Victor, Sofia M.; Iusupov, Ildar R.; Belov, Dmitry S.; Markov, Pavel O.; Kurkin, Alexander V.; Altieri, Andrea; Debnath, Asim K. published the artcile< Preclinical optimization of gp120 entry-antagonists as anti-HIV-1 agents with improved cytotoxicity and ADME properties through rational design, synthesis, and antiviral evaluation>, Formula: C4H3NOS, the main research area is pyrrolecarboxamide aryl heteroaryl thiazolyl aminoalkyl preparation antiHIV pharmacokinetics cytotoxicity.

To optimize the structure of previously reported HIV-1 gp120 antagonist NBD-14189 which showed antiviral activity against HIV-1HXB2 (IC50 = 89 nM) but had high cytotoxicity and poor aqueous solubility, a series of novel azaarenyl analogs I [R1 = H, HOCH2, HOCH2CHOH, etc.; R2 = H, HOCH2, HOCH2CHOH; R3, R4, R5 = R6 = H, Me; R7 = 5-chloro-2-pyridinyl, 6-trifluoromethyl-3-pyridazinyl, 5-chloro-2-pyrimidinyl, etc.] have been synthesized and evaluated. One of the new analogs, the compound (S)-I [R1 = H; R2 = HOCH2; R3 = R4 = R5 = H; R6 = Me; R7 = 5-trifluoromethyl-2-pyridinyl; NBD-14270] showed a marked improvement in cytotoxicity, with a 3-fold and 58-fold improvements in SI values compared with that of NBD-14189 and NBD-11021, resp. Furthermore, the in-vitro ADME data clearly showed improvements in aqueous solubility and other properties compared with those for NBD-14189.

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

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

Wang, Rui; Xu, Hongyan; Zhang, Ying; Hu, Yuntao; Wei, Yingsu; Du, Xiao; Zhao, Huaiqing published the artcile< Ag-Cu copromoted direct C2-H bond thiolation of azoles with Bunte salts as sulfur sources>, Quality Control of 1003-32-3, the main research area is thiazole benzothiazole benzoxazole benzimidazole arylthio alkylthio preparation; azole Bunte salt silver copper catalyst thiolation.

A direct C2-H thiolation of azoles with Bunte salts was achieved under the combined action of copper and silver salts. This protocol could furnish various substituted 2-arylthio- or 2-alkylthio-substituted azoles in moderate to good yields. This method has a broad substrate scope and shows good functional group tolerance.

Organic & Biomolecular Chemistry published new progress about Benzimidazoles Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 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

Marwaha, Tejinder Kaur; Madgulkar, Ashwini; Bhalekar, Mangesh; Asgaonkar, Kalyani published the artcile< Molecular docking, synthesis, and characterization of chitosan-graft-2-mercaptobenzoic acid derivative as potential drug carrier>, COA of Formula: C3H5NS2, the main research area is docking chitosan mercaptobenzoic acid derivative drug carrier.

Chitosan is a hydrophilic polymer with prominent mucoadhesive properties. However, it forms weak hydrogen bonds with mucin thus limiting its mucoadhesion and exhibit reduced bioavailability due to its short retention time in the body. The aim of the present study was to synthesize and characterize novel thiolated chitosan with improved functional property. A unique approach of using mol. docking to select ligand to chem. modify chitosan has been employed in the present research. A set of ligands were screened virtually using docking anal. and 2-mercapto benzoic acid showed the lowest glide score of -4.31 Kcal/Mol thus displayed better binding interaction with chitosan. Based on the docking results, the best-fit ligand was selected for wet laboratory synthesis. 2-Mercapto benzoic acid was covalently attached to chitosan via formation of an amide bond and the reaction was mediated by carbodiimide and N-hydroxysuccinimide. The synthesized polymer was in turn evaluated for zeta potential, Fourier transformed IR, differential scanning calorimetry, mol. weight that confirmed conjugation of chitosan with the thiol ligand. The prepared thiomer was further subjected to mucoadhesion studies and displayed better mucoadhesion properties as compared to unmodified chitosan. Thus, the potential of the novel thiomer can be further explored as an excipient for drug delivery system with an emphasis on mucoadhesion.

Journal of Applied Polymer Science published new progress about Differential scanning calorimetry. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, COA of Formula: C3H5NS2.

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

Vafina, G. F.; Guryanova, T. S. published the artcile< Synthesis of S-Containing Maleopimaric Acid Derivatives>, Related Products of 96-53-7, the main research area is maleopimaric acid thio analog preparation.

New S-containing maleopimaric acid derivatives were synthesized. The structures of all synthesized compounds were elucidated using NMR spectroscopy and elemental analyses.

Chemistry of Natural Compounds published new progress about Diterpenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Related Products of 96-53-7.

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