Author: tianli

Martel, Sophie; Gillerat, Fabrice; Carosati, Emanuele; Maiarelli, Daniele; Tetko, Igor V.; Mannhold, Raimund; Carrupt, Pierre-Alain published the artcile< Large, chemically diverse dataset of log P measurements for benchmarking studies>, SDS of cas: 72054-60-5, the main research area is dataset benchmark.

Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and target affinity of drug candidates. In early drug discovery stage, accurate tools for log P prediction are highly desired. Many calculation methods were developed to aid pharmaceutical scientists in drug research; however almost all suffer from insufficient accuracy and variation of performance in several regions of the chem. space associated with new chem. entities. The low predictive power of existing software packages can be explained by limited availability and/or variable quality of exptl. log P values associated with training set used, which stem from various protocols and poorly cover chem. space. In this study, a dataset of 1000 diverse test compounds out of 4.5 million was generated; log P values of 759 purchasable compounds (46% non-ionizable, 30% basic, 17% acidic, 0.5% zwitterionic and 6.5% ampholytes) from this selected set were exptl. determined by UHPLC followed by UV detection or MS detection when necessary. Finally, a data collection of 707 validated log P values ranging from 0.30 to 7.50 is now available for benchmarking of existing and development of new approaches to predict octanol/water partition coefficients of chem. compounds

European Journal of Pharmaceutical Sciences published new progress about Computer program. 72054-60-5 belongs to class thiazole, and the molecular formula is C7H10N2O2S, SDS of cas: 72054-60-5.

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

Moody, Christopher J.; Bagley, Mark C. published the artcile< Total synthesis of (+)-nostocyclamide>, Application of C12H18N2O4S, the main research area is nostocyclamide macrocyclic peptide total synthesis.

The synthesis of (+)-nostocyclamide (I) from the oxazole II and thiazoles III (R = H, CHMe2; Boc = Me3CO2C) is described. The oxazole amino ester II was prepared from N-protected alaninamide using a rhodium(II) catalyzed N-H insertion reaction as a key step, and the thiazoles III were obtained using a modified Hantzsch reaction. The synthesis was completed in six further steps in which fragments II and III (R = CHMe2) were coupled using mixed anhydride methodol. to give a oxazole-thiazole intermediate, deprotection of which and coupling to III (R = H) gave a linear bis-thiazole oxazole intermediate. Macrocyclization using the pentafluorophenyl ester method gave (+)-nostocyclamide I. The synthesis confirms that the natural product is the (+)-enantiomer and has the (2S,12R) absolute configuration.

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry published new progress about 96929-05-4. 96929-05-4 belongs to class thiazole, and the molecular formula is C12H18N2O4S, Application of C12H18N2O4S.

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

Tan, Richard P.; Hallahan, Nicole; Kosobrodova, Elena; Michael, Praveesuda L.; Wei, Fei; Santos, Miguel; Lam, Yuen Ting; Chan, Alex H. P.; Xiao, Yin; Bilek, Marcela M. M.; Thorn, Peter; Wise, Steven G. published the artcile< Bioactivation of Encapsulation Membranes Reduces Fibrosis and Enhances Cell Survival>, Recommanded Product: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid, the main research area is islet encapsulation device immunomodulatory surface coating macrophage polarization; encapsulation devices; immunomodulatory surface coatings; islet cells; macrophage polarization; type I diabetes.

Encapsulation devices are an emerging barrier technol. designed to prevent the immunorejection of replacement cells in regenerative therapies for intractable diseases. However, traditional polymers used in current devices are poor substrates for cell attachment and induce fibrosis upon implantation, impacting long-term therapeutic cell viability. Bioactivation of polymer surfaces improves local host responses to materials, and here we make the first step toward demonstrating the utility of this approach to improve cell survival within encapsulation implants. Using therapeutic islet cells as an exemplar cell therapy, we show that internal surface coatings improve islet cell attachment and viability, while distinct external coatings modulate local foreign body responses. Using plasma surface functionalization (plasma immersion ion implantation (PIII)), we employ hollow fiber semiporous poly(ether sulfone) (PES) encapsulation membranes and coat the internal surfaces with the extracellular matrix protein fibronectin (FN) to enhance islet cell attachment. Sep., the external fiber surface is coated with the anti-inflammatory cytokine interleukin-4 (IL-4) to polarize local macrophages to an M2 (anti-inflammatory) phenotype, muting the fibrotic response. To demonstrate the power of our approach, bioluminescent murine islet cells were loaded into dual FN/IL-4-coated fibers and evaluated in a mouse back model for 14 days. Dual FN/IL-4 fibers showed striking reductions in immune cell accumulation and elevated levels of the M2 macrophage phenotype, consistent with the suppression of fibrotic encapsulation and enhanced angiogenesis. These changes led to markedly enhanced islet cell survival and importantly to functional integration of the implant with the host vasculature. Dual FN/IL-4 surface coatings drive multifaceted improvements in islet cell survival and function, with significant implications for improving clin. translation of therapeutic cell-containing macroencapsulation implants.

ACS Applied Materials & Interfaces published new progress about Angiogenesis. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Recommanded Product: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

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

Bilodeau, Mark T.; Rodman, Leonard D.; McGaughey, Georgia B.; Coll, Kathleen E.; Koester, Timothy J.; Hoffman, William F.; Hungate, Randall W.; Kendall, Richard L.; McFall, Rosemary C.; Rickert, Keith W.; Rutledge, Ruth Z.; Thomas, Kenneth A. published the artcile< The discovery of N-(1,3-thiazol-2-yl)pyridin-2-amines as potent inhibitors of KDR kinase>, Formula: C3HBrClNS, the main research area is thiazolyl pyridinamine preparation KDR kinase active site mol modeling; pyridinamine thiazolyl preparation KDR kinase ligand.

An azo-dye lead was modified to a N-(1,3-thiazol-2-yl)pyridin-2-amine series of KDR kinase inhibitors through the use of rapid analog libraries. The two lead compounds were N-butyl-N,3-dimethyl-4-[(5-nitro-2-thiazolyl)azo]benzenamine and N-(5-phenyl-2-thiazolyl)benzamide. This class has been found to be potent, selective, and of low mol. weight Mol. modeling has postulated an interesting conformational preference and binding mode for these compounds in the active site of the enzyme. A binding mode was proposed for the lead compound N-(5-phenyl-2-thiazolyl)-2-pyridinamine (I) in the KDR kinase active site.

Bioorganic & Medicinal Chemistry Letters published new progress about Chemical library. 3034-56-8 belongs to class thiazole, and the molecular formula is C3HBrClNS, Formula: C3HBrClNS.

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

Helal, Christopher J.; Sanner, Mark A.; Cooper, Christopher B.; Gant, Thomas; Adam, Mavis; Lucas, John C.; Kang, Zhijun; Kupchinsky, Stanley; Ahlijanian, Michael K.; Tate, Bonnie; Menniti, Frank S.; Kelly, Kristin; Peterson, Marcia published the artcile< Discovery and SAR of 2-aminothiazole inhibitors of cyclin-dependent kinase 5/p25 as a potential treatment for Alzheimer's disease>, Recommanded Product: 5-Isopropylthiazol-2-amine, the main research area is cyclin dependent kinase inhibitor thiazolyl isobutyramide structure.

High-throughput screening with cyclin-dependent kinase 5 (cdk5)/p25 led to the discovery of N-(5-isopropyl-thiazol-2-yl)isobutyramide. This compound is an equipotent inhibitor of cdk5 and cyclin-dependent kinase 2 (cdk2)/cyclin E (IC50 = ca. 320 nM). Parallel and directed synthesis techniques were utilized to explore the SAR of this series. Up to 60-fold improvements in potency at cdk5 and 12-fold selectivity over cdk2 were achieved.

Bioorganic & Medicinal Chemistry Letters published new progress about Alzheimer disease. 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

Moriguchi, Maiko; Takahashi, Ryo; Kang, Bubwoong; Kuse, Masaki published the artcile< Expression of recombinant apopholasin using a baculovirus-silkworm multigene expression system and activation via dehydrocoelenterazine>, Recommanded Product: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid, the main research area is expression recombinant apopholasin baculovirus silkworm multigene system activation dehydrocoelenterazine; Apopholasin; Baculovirus–silkworm multigene expression system; Chromophore; Dehydrocoelenterazine; Pholasin.

Pholasin is a photoprotein derived from the glowing bivalve mollusk, Pholas dactylus. Even though the chem. structure of the prosthetic group (chromophore) responsible for the light emission character of the mollusk remains unknown, research showed that the presence of dehydrocoelenterazine (DCL) increased light emission and that the dithiothreitol adduct of DCL was isolated from Pholasin. To date, the authors’ research has been focused on activating apopholasin, the naturally occurring apoprotein of Pholasin, using DCL. In the current study, the expression of recombinant apopholasin via a baculovirus-silkworm multigene expression system is reported. Addnl., the purification of apopholasin using a Flag-affinity column, the activation of apopholasin using DCL, and the initiation of its luminescent character through the addition of a peroxidase-hydrogen peroxide mixture are reported. The peroxidase-H2O2-dependent luminescence was observed from the recombinant apopholasin activated with DCL.

Bioorganic & Medicinal Chemistry Letters published new progress about Bioluminescence. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Recommanded Product: (S)-2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid.

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

Dutta, Satyajit; Mariappan, G.; Asada, R. K.; Bhuyan, N. R.; Mohanty, J. P. published the artcile< Synthesis and antimicrobial evaluation of aminophenylthiazole derivatives>, COA of Formula: C9H7N3O2S, the main research area is acetophenone thiourea cyclocondensation; amino aryl thiazole preparation antibacterial antifungal.

A new series of 2-aminophenylthiazole derivatives was synthesized and structures were confirmed on the basis of IR, 1H-NMR spectroscopic data. The compounds were screened for antimicrobial activity in vitro by Kirby-Bauer disk diffusion method and the compounds 2-amino-4-(3-nitro/4-chlorophenyl)phenylthiazoles showed promising activity.

Pharma Chemica published new progress about Antibacterial agents. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, COA of Formula: C9H7N3O2S.

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

Curreli, Francesca; Kwon, Young Do; Zhang, Hongtao; Scacalossi, Daniel; Belov, Dmitry S.; Tikhonov, Artur A.; Andreev, Ivan A.; Altieri, Andrea; Kurkin, Alexander V.; Kwong, Peter D.; Debnath, Asim K. published the artcile< Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity>, HPLC of Formula: 20582-55-2, the main research area is antiviral HIV AIDS.

Earlier the authors reported the discovery and design of NBD-556 and their analogs which demonstrated their potential as HIV-1 entry inhibitors. However, progress in developing these inhibitors has been stymied by their CD4-agonist properties, an unfavorable trait for use as drug. Here, the authors demonstrate the successful conversion of a full CD4-agonist (NBD-556) through a partial CD4-agonist (NBD-09027), to a full CD4-antagonist I (NBD-11021) by structure-based modification of the critical oxalamide mid-region, previously thought to be intolerant of modification. I showed unprecedented neutralization breath for this class of inhibitors, with pan-neutralization against a panel of 56 Env-pseudotyped HIV-1 representing diverse subtypes of clin. isolates (IC50 as low as 270 nM). The cocrystal structure of NBD-11021 complexed to a monomeric HIV-1 gp120 core revealed its detail binding characteristics. The study is expected to provide a framework for further development of NBD series as HIV-1 entry inhibitors for clin. application against AIDS.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, HPLC of Formula: 20582-55-2.

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

Kearney, Patrick C.; Fernandez, Monica; Flygare, John A. published the artcile< Traceless Solid-Phase Synthesis of 2-Aminothiazoles>, Synthetic Route of 57493-24-0, the main research area is thiazolamine derivative preparation solid phase; ketone bromo cyclocondensation resin bound thiourea.

2-Aminothiazoles are produced under mild conditions in good yields and with high degrees of purity from a primary amine and an α-bromo ketone. The key to this method is the conversion of a resin-bound amino group to a thiourea using Fmoc-NCS.

Journal of Organic Chemistry published new progress about Cyclocondensation reaction. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Synthetic Route of 57493-24-0.

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

Lakhan, R.; Rai, B. J. published the artcile< Local anesthetics. IV. Synthesis and activity of 2-(N-substituted or N,N-disubstituted aminoacetamido)-4- or -4,5-substituted thiazoles>, Safety of 2-Amino-4-(3-nitrophenyl)thiazole, the main research area is local anesthetic aminoacetamidothiazole preparation; thiazole aminoacetamido anesthetic preparation.

I (R = H or Me, R1 and R2 = H or alkyl or NR1R2 = morpholino, R3 = H or m- or p-O2N) were prepared by treatment of the appropriate 2-chloroacetamidothiazole derivative with an appropriate amine. I(R = H, R1 = R2 = iso-Pr, R3 = m-O2N) [105602-34-4] and I (R = Me, R1 = R2 = Pr, R3 = H) [105602-33-3] (as HCl salt) were the most potent local onesthetics in comparison with procaine-HCl. All other I required a similar time n producing onset of anesthesia as procaine.

Farmaco, Edizione Scientifica published new progress about Local anesthetics. 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Safety of 2-Amino-4-(3-nitrophenyl)thiazole.

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