Day: October 14, 2022

Widler, Leo; Jaeggi, Knut A.; Glatt, Markus; Mueller, Klaus; Bachmann, Rolf; Bisping, Michael; Born, Anne-Ruth; Cortesi, Reto; Guiglia, Gabriela; Jeker, Heidi; Klein, Remy; Ramseier, Ueli; Schmid, Johann; Schreiber, Gerard; Seltenmeyer, Yves; Green, Jonathan R. published the artcile< Highly Potent Geminal Bisphosphonates. From Pamidronate Disodium (Aredia) to Zoledronic Acid (Zometa)>, Recommanded Product: 5-Isopropylthiazol-2-amine, the main research area is bisphosphonate derivative preparation structure bone resorption inhibitor osteoporosis; hypercalcemia Paget’s metastasis osteolysis osteoporosis bisphosphonate derivative preparation.

Bisphosphonates (BPs) are pyrophosphate analogs in which the oxygen in P-O-P has been replaced by a carbon, resulting in a metabolically stable P-C-P structure. Pamidronate (1b, Novartis), a second-generation BP, was the starting point for extensive SAR studies. Small changes of the structure of pamidronate lead to marked improvements of the inhibition of osteoclastic resorption potency. Alendronate (1c, MSD), with an extra methylene group in the N-alkyl chain, and olpadronate (1h, Gador), the N,N-di-Me analog, are about 10 times more potent than pamidronate. Extending one of the N-Me groups of olpadronate to a pentyl substituent leads to ibandronate (1k, Roche, Boehringer-Mannheim), which is the most potent close analog of pamidronate. Even slightly better antiresorptive potency is achieved with derivatives having a Ph group linked via a short aliphatic tether of three to four atoms to nitrogen, the second substituent being preferentially a Me group (e.g., 4g, 4j, 5d, or 5r). The most potent BPs are found in the series containing a heteroaromatic moiety (with at least one nitrogen atom), which is linked via a single methylene group to the geminal bisphosphonate unit. Zoledronic acid (6i), the most potent derivative, has an ED50 of 0.07 mg/kg in the TPTX in vivo assay after s.c. administration. It not only shows by far the highest therapeutic ratio when comparing resorption inhibition with undesired inhibition of bone mineralization but also exhibits superior renal tolerability. Zoledronic acid (6i) has thus been selected for clin. development under the registered trade name Zometa. The results of the clin. trials indicate that low doses are both efficacious and safe for the treatment of tumor-induced hypercalcemia, Paget’s disease of bone, osteolytic metastases, and postmenopausal osteoporosis.

Journal of Medicinal Chemistry published new progress about Antiosteoporotic agents. 101080-15-3 belongs to class thiazole, and the molecular formula is C6H10N2S, Recommanded Product: 5-Isopropylthiazol-2-amine.

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

Lu, Zheng; Yang, Yong-Qing; Xiong, Weixiang published the artcile< Preparation of 1,3-Thiazolidine-2-thiones by Using Potassium Ethylxanthate as a Carbon Disulfide Surrogate>, Electric Literature of 171877-39-7, the main research area is thiazolidine thione preparation green chem; amino alc potassium ethylxanthate heterocyclization.

A simple procedure is presented for preparing 1,3-thiazolidine-2-thiones, e.g., I by using potassium ethylxanthate and the corresponding β-amino alcs. as the starting materials in the presence of ethanol.

Synlett published new progress about Amino alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Electric Literature of 171877-39-7.

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

Huang, Zhi-Xing; Yu, Jia-Hui; Xu, Xing-Jun; Xu, Xiao-Fang; Zeng, Ting; Lin, Jing; Chen, Wei-Min published the artcile< Cajaninstilbene acid analogues as novel quorum sensing and biofilm inhibitors of Pseudomonas aeruginosa>, HPLC of Formula: 1003-32-3, the main research area is Pseudomonas aeruginosa Cajaninstilbene acid analog quorum sensing biofilm inhibitor; Anti-Biofilm; Cajaninstilbene acid; Pseudomonas aeruginosa; Quorum sensing regulator.

Biofilm formation and virulence factor secretion in opportunistic pathogen Pseudomonas aeruginosa are essential for establishment of chronic and recurrent infection, which are regulated by quorum sensing (QS) system. In this study, a set of cajaninstilbene acid analogs were designed and synthesized, and their abilities to inhibit QS and biofilm formation were investigated. Among all the compounds, compounds 3g, 3m and 3o showed potent anti-biofilm activity, especially 3o exhibited promising biofilm inhibitory activity with biofilm inhibition ratio of 49.50 ± 1.35% at 50 μM. Three lacZ reporter strains were constructed to identify the effects of compound 3o on different QS systems. Compound 3o showed the suppression on the expression of lasB-lacZ and pqsA-lacZ as well as on the production of their corresponding virulence factors. Therefore, compound 3o is expected to be generated as a lead compound with inhibition of biofilm formation and QS of Pseudomonas aeruginosa.

Microbial Pathogenesis published new progress about Microbial gene, lacZ Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Cochrane, Stephen A.; Surgenor, Richard R.; Khey, Kevin M. W.; Vederas, John C. published the artcile< Total Synthesis and Stereochemical Assignment of the Antimicrobial Lipopeptide Cerexin A1>, Reference of 171877-39-7, the main research area is cerexin antimicrobial lipopeptide isolation total synthesis stereochem antibacterial.

The isolation and total synthesis of the antimicrobial lipopeptide cerexin A1 is reported. This synthesis includes the preparation of orthogonally protected γ-hydroxylysine, utilizing a nitrile Reformatsky-type reaction as a key step to yield both diastereomers more efficiently than previously reported methods. The configuration of the β-hydroxyl in the lipid tail was determined by the use of a modified Ohrui-Akasaka approach. Furthermore, new cerexin analogs from Bacillus mycoides ATCC 21929 were isolated and characterized, revealing an ε-amino succinylation of a hydroxylysine residue that is unusual in a nonribosomal peptide synthetase product.

Organic Letters published new progress about Absolute configuration. 171877-39-7 belongs to class thiazole, and the molecular formula is C10H11NS2, Reference of 171877-39-7.

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

Chen, Shengyu; Zhao, Jingjin; Yang, Xing; Zhao, Shulin; Liu, Yi-Ming published the artcile< A novel intracellular signal amplification strategy for the quantification of ATP in single cells by microchip electrophoresis with laser-induced fluorescence detection>, Synthetic Route of 2591-17-5, the main research area is ATP microchip electrophoresis laser induced fluorescence.

An intracellular signal amplification strategy was developed for the quantification of ATP in single cells by microchip electrophoresis with laser-induced fluorescence detection. By using the method proposed, intracellular ATP levels in single HeLa, HepG2 and HL-7702 cells are at 30-150, 30-140, and 19-120 fmol per cell, resp.

Chemical Communications (Cambridge, United Kingdom) published new progress about Capillary electrophoresis (microchip). 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Synthetic Route of 2591-17-5.

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

Nizamuddin, Nd; Abdul ahad, Hindustan; Devanna, Nayakanti published the artcile< Molecular docking studies of N-methyl- 2, 3 -disubstituted quinazolin-4-ones scaffold>, SDS of cas: 57493-24-0, the main research area is methyl disubstituted quinazolinone scaffold mol docking.

In recent days, synthesis of anticancer mols. having both low adverse effects and specific protein targeting are seldom. Synthesis of anticancer mols. having both low adverse effects and specific protein targeting is challenging. The main objective of our study was to develop mols. that can target activated protein kinase P38 alpha and activin receptor (ALK2) kinase for treating carcinoma. P38 alpha is involved in cell differentiation, apoptosis, and autophagy. Activin receptor (ALK2) kinase is responsible for mutations of cancerous cells. The synthesis of N-Me – 2, 3 -Disubstituted Quinazolin-4-Ones was carried out by refluxing of 1-methyl-2-(pyridinyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one with 4-substituted phenyl-1,3-thiazol-2-amines. The mol. docking of 1-methyl-3-(4-substituted phenyl-1,3-thiazol-2-yl)-2-(pyridin-3-yl)-2,3-dihydroquinazolin-4(1H)-one (5Da1-5Dk11) and 1-methyl-3-(4-substituted phenyl-1,3-thiazol-2-yl)-2-(pyridin-4-yl)-2,3-dihydroquinazolin-4(1H)-one (5Ea1-5Ek11) derivatives were carried out using Schrodinger Glide (version 2020_1) software. Twenty-two quinazoline-4-one derivatives were docked into selective P38 alpha and ACVR1 (ALK2) kinase with PDB code 3GC7, 6GI6. Based on the docking score, comparison between quinazolin-4-one derivatives, co-crystallized Ligands interaction was evaluated using 5-Fluorouracil as standard Best activity was found in compounds 5Df6, 5Dd4, 5Ed4 and 5Ef6 with ACVR1 (ALK2) kinase with score of -8.223, -7.936, -8.123, -7.907 and 5Df6, 5Dh8, 5Eb2 and 5Ee5 with P38alpha with score of -7.19, -7.027, -6.698, -6.789 Kcal/mol against enzymes responsible for treatment for cancer compare with reference drug score -5.765 and -6.195. This study will help in the design and development of a drug that gives room for the synthesis of a new selective ACVR1 (ALK2) kinase and P38alpha enzyme inhibitor with predetermined affinity and activity of the compound

International Journal of Life Science and Pharma Research published new progress about Activin receptor ACVRLK2 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, SDS of cas: 57493-24-0.

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

Hagen, Susan E.; Domagala, John; Gajda, Christopher; Lovdahl, Michael; Tait, Bradley D.; Wise, Eric; Holler, Tod; Hupe, Donald; Nouhan, Carolyn; Urumov, Andrej; Zeikus, Greg; Zeikus, Eric; Lunney, Elizabeth A.; Pavlovsky, Alexander; Gracheck, Stephen J.; Saunders, James; VanderRoest, Steve; Brodfuehrer, Joanne published the artcile< 4-Hydroxy-5,6-dihydropyrones as inhibitors of HIV protease: the effect of heterocyclic substituents at C-6 on antiviral potency and pharmacokinetic parameters>, Category: thiazole, the main research area is hydroxydihydropyrone HIV protease inhibitor antiviral agent.

Due largely to the emergence of multi-drug-resistant HIV strains, the development of new HIV protease inhibitors remains a high priority for the pharmaceutical industry. Toward this end, the authors previously identified a 4-hydroxy-5,6-dihydropyrone lead compound (CI-1029) which possesses excellent activity against the protease enzyme, good antiviral efficacy in cellular assays, and promising bioavailability in several animal species. The search for a suitable back-up candidate centered on the replacement of the aniline moiety at C-6 with an appropriately substituted heterocycle. In general, this series of heterocyclic inhibitors displayed good activity (in both enzymic and cellular tests) and low cellular toxicity; furthermore, several analogs exhibited improved pharmacokinetic parameters in animal models. The compound with the best combination of high potency, low toxicity, and favorable bioavailability was (S)-3-(2-tert-butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-6-(2-thiophen-3-yl-ethyl)-5,6-dihydro-pyran-2-one (I). This thiophene derivative also exhibited excellent antiviral efficacy against mutant HIV protease and resistant HIV strains. For these reasons, I was chosen for further preclin. evaluation.

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

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

Wang, Gang; Xin, Xiaodong; Wang, Zehua; Lu, Gang; Ma, Yudao; Liu, Lei published the artcile< Catalytic enantioselective oxidative coupling of saturated ethers with carboxylic acid derivatives>, Electric Literature of 96-53-7, the main research area is ether azolidinyl alkanone preparation regioselective enantioselective cross dehydrogenative coupling.

A formal catalytic enantioselective cross-dehydrogenative coupling of saturated ethers with diverse carboxylic acid derivatives involving an initial oxidative acetal formation, followed by nickel(II)-catalyzed asym. alkylation. The one-pot, general and modular method exhibited wide compatibility of a broad range of saturated ethers not only including prevalent THF and tetrahydropyran but also including medium- and large-sized cyclic moieties and acyclic ones with excellent enantioselectivity and functional group tolerance. The application in the rapid preparation of biol. active mols. that are difficult to access with existing methods was also demonstrated.

Nature Communications published new progress about Aliphatic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Wang, Jing; Liang, Jing; Liu, Xu; Xiao, Han; Dong, Fuping; Wang, Yilin; Shu, Xin; Huang, Furong; Liu, Hai-Bo published the artcile< Thiazoline-pyrene selective and sensitive fluorescence ""turn-on"" sensor for detection of Cu2+>, Recommanded Product: 4,5-Dihydrothiazole-2-thiol, the main research area is thiazoline pyrene selective sensitive fluorescence sensor copper detection; Cu2+ detection; Fluorescence; Pyrene; Thiazoline; “Turn-on” sensor.

A thiazoline and pyrene containing sensor 1 (I) was synthesized via 1-pot reaction and used as a highly selective and sensitive fluorescence turn-on sensor for Cu2+ detection, via the fluorescence enhancement of pyrene monomer emission. The 2:1 stoichiometry of 1 and Cu2+ was calculated from Job’s plots based on fluorescent titrations, and the complexation of 1 with Cu2+ was also supported by mass spectra, FTIR spectra, 1H NMR spectra and d. functional theory anal. The fluorescence intensity of 1 at 389 nm and 410 nm increased significantly upon the addition of Cu2+. Limit of detection and association constant value of 1-Cu2+ were calculated using standard deviations and linear fittings, resp. 1 Was active for Cu2+ detection in the wide pH range of 2.0-11.0.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Colorimetry. 96-53-7 belongs to class thiazole, and the molecular formula is C3H5NS2, Recommanded Product: 4,5-Dihydrothiazole-2-thiol.

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

Abdel-Lateef, Mahmoud F. A.; Stec, Maria; Eckstein, Zygmunt published the artcile< Systemic and chemotherapeutic fungicidal activity-chemical structure relation of some 4-methyl-5-thiazolecarboxylic acid derivatives. Laboratory screening tests>, Formula: C7H9NO2S, the main research area is methylthiazolecarboxylate derivative fungicide; structure fungicide activity thiazolecarboxylate derivative.

Of 137 synthetic 4-methyl-5-thiazolecarboxylates (I, X = H, halo, Me, SH, alkoxy, aryloxy, alkylthio, arylthio, aryloxyalkyl heterocyclic radical, etc. R = HO, alkoxy, substituted amine, etc) 108 were previously undescribed. I compounds were screened with Alternaia tenuis, Phytophthora infestans, Rhizoctonia, solani, Tilletia caries, and Venturia inaequalis for chem. structure-activity relations. The m.p., yield, and fungicidal activities of I compounds are tabulated, and their structure-activity relations are discussed.

Acta Phytopathologica Academiae Scientiarum Hungaricae published new progress about Fungicides. 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, Formula: C7H9NO2S.

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