Tag: 100-200

On November 15, 2022, Shi, Yali; Zhu, Yin; Ma, Wanjun; Shi, Jiang; Peng, Qunhua; Lin, Zhi; Lv, Haipeng published an article.Safety of 3-Hydroxyphenylacetic acid The title of the article was Comprehensive investigation on non-volatile and volatile metabolites in four types of green teas obtained from the same tea cultivar of Longjing 43 (Camellia sinensis var. sinensis) using the widely targeted metabolomics. And the article contained the following:

In this study, we produced roasted, baked, steamed, and sun-dried green tea products using the same batch of fresh tea leaves (FTL) of Longjing 43 (Camellia sinensis var. sinensis), and explored processing effects on the metabolic profiles of four types of green teas (FGTs) using the widely targeted metabolomics. Results showed that 146 differential metabolites including flavonoids, amino acids, lipids, and phenolic acids were screened among 1034 non-volatiles. In addition, nineteen differential metabolites were screened among 79 volatiles. Most of non-volatiles and volatiles metabolites changed notably in different manufacturing processes, whereas there were no significant differences (p>0.05) in the levels of total catechins between FGTs and FTL. The transformation of metabolites was the dominant trend during green tea processing. The results contribute to a better understanding of how the manufacturing process influences green tea quality, and provide useful information for the enrichment of tea biochem. theory. The experimental process involved the reaction of 3-Hydroxyphenylacetic acid(cas: 621-37-4).Safety of 3-Hydroxyphenylacetic acid

The Article related to volatile nonvolatile metabolite green teas longjing metabolomic, differential metabolite, epigallocatechin gallate, geraniol, green tea, kaempferol, linalool, methyl salicylate, non-volatile metabolite, phenylethyl alcohol, process technology, quercetin, theanine, volatiles, widely targeted metabolomics, l-phenylalanine, α-linolenic acid and other aspects.Safety of 3-Hydroxyphenylacetic acid

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Nesterova, Oksana V.; Kirillova, Marina V.; Guedes da Silva, M. Fatima C.; Boca, Roman; Pombeiro, Armando J. L. published an article in 2014, the title of the article was How to force a classical chelating ligand to a metal non-chelating bridge: the observation of a rare coordination mode of diethanolamine in the 1D complex {[Cu2(Piv)4(H3tBuDea)](Piv)}n.Related Products of 2160-93-2 And the article contains the following content:

The novel chain coordination polymer {[Cu2(Piv)4(H3tBuDea)](Piv)}n (1) was prepared through the self-assembly reaction of copper(II) nitrate with pivalic acid (HPiv) and N-tert-butyldiethanolamine (H2tBuDea) in MeCN solution Crystallog. anal. revealed the extremely rare nonchelating bridging coordination mode of diethanolamine ligand in 1, observed for the first time in transition metal complexes, as well as in complexes of diethanolamine having a noncoordinating aliphatic group at the N atom. Possible reasons for such a coordination and anal. of the main coordination modes of diethanolamine-based ligands are discussed. Variable-temperature (1.8-300 K) magnetic susceptibility measurements showed that 1 represents a rare example of dicopper(II) tetracarboxylate that is a diamagnetic solid at room temperature This behavior is compared with literature examples and discussed from DFT calculations Also, 1 acts as an efficient catalyst for the mild hydrocarboxylation of linear and cyclic C5-C8 alkanes into the corresponding carboxylic acids. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Related Products of 2160-93-2

The Article related to copper pivalate paddlewheel diethanolamine bridge coordination polymer preparation, crystal structure copper pivalate paddlewheel diethanolamine bridge coordination polymer, magnetic exchange copper pivalate paddlewheel diethanolamine bridge coordination polymer, hydrocarboxylation catalyst copper pivalate paddlewheel diethanolamine bridge coordination polymer and other aspects.Related Products of 2160-93-2

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On November 30, 2020, Ding, Qin’ge; Liu, Chunxi; Zhao, Chunlong; Dong, Hang; Xu, Qifu; James Chou, C.; Zhang, Yingjie published an article.Name: Pentane-1,5-diol The title of the article was Synthesis and biological study of class I selective HDAC inhibitors with NO releasing activity. And the article contained the following:

Based on the multi-mechanism antitumor strategy and the regulatory effect of nitric oxide (NO) on histone deacetylases (HDACs), a series of N-acyl-o-phenylenediamine-based HDAC inhibitors equipped with the phenylsulfonylfuroxan module I [R = Pr, Bu, n-pentyl, etc.] as NO donor was designed, synthesized and biol. evaluated. The in vitro HDAC inhibitory assays revealed that compared with the clin. class I selective HDAC inhibitor MS275, compounds I [R = n-pentyl, n-hexyl, n-heptyl] possessed similar HDAC inhibitory potency and selective profile, which were confirmed by the results of western blot anal. The western blot anal. also showed that NO scavenger N-acetyl cysteine (NAC) could weaken the intracellular HDAC inhibitory ability of compound I [R = n-pentyl] supported the HDAC inhibitory effect of NO generated by compound I [R = n-pentyl]. Compounds I [R = n-pentyl, n-hexyl, n-heptyl] exhibited more potent in vitro antiproliferative activities than MS275 against all four tested solid tumor cell lines. The promising in vivo antitumor potency of compound I [R = n-pentyl] was demonstrated in a HCT116 xenograft model. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Name: Pentane-1,5-diol

The Article related to aminophenyl amino oxy phenylsulfonyl oxadiazole oxide preparation sar antitumor, antiproliferative hdac inhibitor aminophenyl oxy phenylsulfonyl oxadiazole oxide preparation, nitric oxide releasing aminophenyl oxy phenylsulfonyl oxadiazole oxide preparation, anticancer, histone deacetylase, hybrid, n-acyl-o-phenylenediamine, nitric oxide, phenylsulfonylfuroxan and other aspects.Name: Pentane-1,5-diol

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Sib, Anna; Gulder, Tobias A. M. published an article in 2018, the title of the article was Chemo-enzymatic Total Synthesis of Oxosorbicillinol, Sorrentanone, Rezishanones B and C, Sorbicatechol A, Bisvertinolone, and (+)-Epoxysorbicillinol.Product Details of 55743-13-0 And the article contains the following content:

The sorbicillinoids are a large family of fungal natural products, many of which possess highly challenging mol. architectures. Depending on their individual structures they exhibit strong biol. activities ranging from radical scavenging and anti-infective properties to cytotoxicity. Despite the resulting strong biomedical potential of these natural products and the interest of synthetic chemists owing to their fascinating structures, many sorbicillinoids are currently not synthetically accessible, thus hampering in-depth biol. characterization and structural diversification. By using recombinant oxidoreductase SorbC and readily accessible sorbicillin-type synthetic precursors, we have developed enantioselective, one-pot chemo-enzymic routes to a broad range of sorbicillinoids, thereby establishing total syntheses of oxosorbicillinol, sorrentanone, rezishanones B and C, sorbicatechol A, bisvertinolone, and (+)-epoxysorbicillinol. The experimental process involved the reaction of 2,4,6-Trihydroxy-3-methylbenzaldehyde(cas: 55743-13-0).Product Details of 55743-13-0

The Article related to sorbicillinoid chemoenzymic preparation, oxosorbicillinol chemoenzymic synthesis, sorrentanone chemoenzymic synthesis, rezishanone chemoenzymic synthesis, sorbicatechol a chemoenzymic synthesis, bisvertinolone chemoenzymic synthesis, epoxysorbicillinol chemoenzymic synthesis, biocatalysis, enzyme catalysis, natural products, sorbicillinoids, total synthesis and other aspects.Product Details of 55743-13-0

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On June 5, 2003, Devita, Robert J.; Chang, Lehua; Chaung, Danny; Hoang, Myle; Jiang, Jinlong; Lin, Peter; Sailer, Andreas W.; Young, Jonathan R. published a patent.Product Details of 386704-04-7 The title of the patent was Preparation of 2-aminoquinolines as melanin concentrating hormone receptor (MCH-1R) antagonists.. And the patent contained the following:

Title compounds [I; R1, R2 = H, (substituted) alkyl, alkenyl, alkynyl, cycloalkylalkyl, aralkyl, etc.; R1R2N = 4-11 membered (bridged) (substituted) heterocyclyl; R3, R4 = H, halo, (substituted) alkyl, alkenyl, alkynyl, perfluoroalkyl, cycloalkyl, cycloalkylalkyl, aryl, aralkyl, heteroaralkyl, OR7, N(R7)2, cyano, etc.; R3R4 = atoms to form 5-7 membered (substituted) ring; R5 = H, halo, alkyl, perfluoroalkyl, OR7, N(R7)2; R6 = (CH2)nR7, (CH2)nCN, (CH2)nCO2R7, (CH2)nOR7, (CH2)nN(R7)2, etc.; R7 = H, alkyl, aryl, heteroaryl, cycloalkyl, aralkyl, aralkenyl, cycloalkylalkenyl, etc.; n = 0-5], were prepared for the treatment or prevention of obesity, eating disorders, osteoarthritis, cancer, AIDS wasting, cachexia, frailty, mental disorders, stress, cognitive disorders, sexual function, reproductive function, kidney function, locomotor disorders, attention deficit disorder (ADD), substance abuse disorders and dyskinesias, Huntington’s disease, epilepsy, memory function, and spinal muscular atrophy. Thus, 2-piperidin-1-ylquinolin-6-amine and (2E)-3-(4-chlorophenyl)prop-2-enoyl chloride were stirred 3 h in HOAc to give (2E)-3-(4-chlorophenyl)-N-(2-piperidin-1-ylquinolin-6-yl)prop-2-enamide hydrochloride. I bound to MCH-1R receptors with IC50 = 0.1-10000 nM. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Product Details of 386704-04-7

The Article related to aminoquinoline preparation melanin concentrating hormone receptor mch1r antagonist, obesity eating disorder osteoarthritis cancer wasting treatment aminoquinoline preparation, cachexia frailty mental disorder stress treatment aminoquinoline preparation, cognitive disorder sexual dysfunction reproductive dysfunction treatment aminoquinoline preparation and other aspects.Product Details of 386704-04-7

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On December 19, 2014, Khoury, George A.; Smadbeck, James; Tamamis, Phanourios; Vandris, Andrew C.; Kieslich, Chris A.; Floudas, Christodoulos A. published an article.Synthetic Route of 32462-30-9 The title of the article was Forcefield_NCAA: Ab Initio Charge Parameters to Aid in the Discovery and Design of Therapeutic Proteins and Peptides with Unnatural Amino Acids and Their Application to Complement Inhibitors of the Compstatin Family. And the article contained the following:

We describe the development and testing of ab initio derived, AMBER ff03 compatible charge parameters for a large library of 147 noncanonical amino acids including β- and N-methylated amino acids for use in applications such as protein structure prediction and de novo protein design. The charge parameter derivation was performed using the RESP fitting approach. Studies were performed assessing the suitability of the derived charge parameters in discriminating the activity/inactivity between 63 analogs of the complement inhibitor Compstatin on the basis of previously published exptl. IC50 data and a screening procedure involving short simulations and binding free energy calculations We found that both the approx. binding affinity (K*) and the binding free energy calculated through MM-GBSA are capable of discriminating between active and inactive Compstatin analogs, with MM-GBSA performing significantly better. Key interactions between the most potent Compstatin analog that contains a noncanonical amino acid are presented and compared to the most potent analog containing only natural amino acids and native Compstatin. We make the derived parameters and an associated web interface that is capable of performing modifications on proteins using Forcefield_NCAA and outputting AMBER-ready topol. and parameter files freely available for academic use at http://selene.princeton.edu/FFNCAA. The forcefield allows one to incorporate these customized amino acids into design applications with control over size, van der Waals, and electrostatic interactions. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Synthetic Route of 32462-30-9

The Article related to compstatin analog noncanonical amino acid complement inhibitor drug design, mol dynamics simulation unnatural amino acid therapeutic protein peptide, amber topol noncanonical amino acid pharmacophore compstatin analog design, amber partial charges, compstatin, complement, inhibitors, molecular dynamics, noncanonical amino acids, unnatural amino acids and other aspects.Synthetic Route of 32462-30-9

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On July 19, 2013, Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele published an article.Formula: C8H9NO3 The title of the article was Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams. And the article contained the following:

Nonracemic polyfluorobenzo[d]sultams (polyfluorodioxobenzoisothiazolecarboxylates) such as I (R = MeO2C, Ph; R1 = Ph, MeO2C; R2 = H, EtCH2, H2C:CHCH2) were prepared using either stereoselective cyclization of nonracemic (polyfluoroarylsulfonyl)phenylglycines such as II or by phase-transfer alkylation of polyfluorobenzosultams I (R = MeO2C, Ph; R1 = Ph, t-BuO2C; R2 = H) followed by preferential crystallization of one enantiomer of the product. Starting from (polyfluoroarylsulfonyl)phenylglycines, both enantiomers of the corresponding polyfluorobenzo[d]sultams were prepared in most cases; when DBU and N,N,N’,N’-tetramethyl-N”-tert-butylguanidine (BTMG) were used as bases in 1,2-dimethoxyethane, sultams were obtained mainly with retention of the phenylglycine stereochem. (6-94% ee), while when BTMG alone in DME was used, the sultams were obtained mainly with inversion of the phenylglycine stereochem. (8-96% ee). The structures of I (R = MeO2C; R1 = Ph; R2 = EtCH2, H2C:CHCH2) and of I (R = Ph; R1 = t-BuO2C; R2 = Me) were determined by X-ray crystallog. The experimental process involved the reaction of H-Phg(4-OH)-OH(cas: 32462-30-9).Formula: C8H9NO3

The Article related to fluorobenzosultam enantioselective preparation, fluorodioxobenzoisothiazolecarboxylate enantioselective preparation, base dependent stereoselective cyclization fluoroarylsulfonyl arylglycine, selective crystallization phase transfer alkylation product fluorobenzosultam, allyl propyl methyl fluorodioxobenzoisothiazolecarboxylate mol crystal structure and other aspects.Formula: C8H9NO3

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On May 20, 2021, Bestvater, Brian P.; Du, Zhimin; Farand, Julie; Notte, Gregory; Tang, Doris T.; Venkataramani, Chandrasekar; Wang, Peiyuan; Yang, Kin S.; Zagorska, Anna; Phillips, Barton W. published a patent.COA of Formula: C7H8FNO The title of the patent was Preparation of triazole carbamate pyridyl sulfonamides as LPA receptor antagonists and uses thereof. And the patent contained the following:

The present disclosure relates generally to compounds I [R1 = (un)substituted alkyl, cycloalkyl, 6-10 membered aryl, etc.; R2 = H, (un)substituted alkyl, cycloalkyl; R3 = H, halo, (un)substituted alkyl, etc.; R4 = D, halo, (un)substituted alkyl, etc.; n = 0-2; R5 = (un)substituted alkyl, cycloalkyl, 3-6 membered heterocyclyl having 1-2 heteroatoms independently selected from N, O, and S; X = NH or O; Y = H or (un)substituted alkyl; Z = (un)substituted alkyl, alkoxy, cycloalkyl, etc.; or Y and Z together with the carbon to which they are attached form (un)substituted cycloalkyl, aryl, 3-12 membered heterocyclyl having 1-4 heteroatoms independently selected from N, O, and S, or 5-12 membered heteroaryl having 1-4 heteroatoms independently selected from N, O, and S] or pharmaceutically acceptable salts thereof, that bind to Lysophosphatidic Acid Receptor 1 (LPAR1) and act as antagonists of LPAR1. E.g., a multi-step synthesis of (R)-II, starting from 2H-1,2,3-triazole, was described. Exemplified compounds I were tested for their in vitro LPAR1 activity (data given). The disclosure further relates to the use of the compounds I for the treatment of diseases and/or conditions through binding of LPAR1, including fibrosis and liver diseases such as non-alc. steatohepatitis (NASH). Pharmaceutical compositions comprising compound I, alone or in combination with other therapeutic agents, were disclosed. The experimental process involved the reaction of 1-(3-Fluoropyridin-4-yl)ethanol(cas: 87674-15-5).COA of Formula: C7H8FNO

The Article related to triazole carbamate pyridyl sulfonamide preparation lpa lpar1 receptor antagonist, lysophosphatidic acid receptor lpar1 antagonist triazole carbamate pyridyl sulfonamide, fibrosis liver disease treatment triazole carbamate pyridyl sulfonamide preparation, nonalcoholic steatohepatitis nash treatment triazole carbamate pyridyl sulfonamide preparation and other aspects.COA of Formula: C7H8FNO

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On July 20, 2009, Ako, Ayuk M.; Mereacre, Valeriu; Clerac, Rodolphe; Hewitt, Ian J.; Lan, Yanhua; Buth, Gernot; Anson, Christopher E.; Powell, Annie K. published an article.Product Details of 2160-93-2 The title of the article was Tridecanuclear [MnIII5LnIII8] Complexes Derived from N-tButyl-diethanolamine: Synthesis, Structures, and Magnetic Properties. And the article contained the following:

The synthesis, structures and magnetic properties of a family of heterometallic [MnIII5LnIII8(μ3-OH)12(L2)4(piv)12(NO3)4(OAc)4]- (Ln = Pr, 2; Nd, 3; Sm, 4; Gd, 5; Tb, 6) aggregates are reported. The complexes were obtained from the direct reaction of N-tbutyldiethanolamine (H2L2) with Mn(OAc)2·4H2O and Ln(NO3)3·6H2O in the presence of pivalic acid (pivH) in MeCN under ambient conditions. Compounds 2-6 are isomorphous and crystallize in the monoclinic space group P21/n with four mols. in the unit cell. The complexes have a centrosym. tridecanuclear anionic core consisting of two distorted inner heterometallic [MnIIILnIII3(μ3-OH)4]8+ cubane subunits sharing a common Mn vertex flanked by four edge-sharing heterometallic [MnIIILnIII2(μ3-OH)4]5+ defect cubane units. Complexes 2-6 are the first high-nuclearity 3d-4f aggregates reported to date using tBu-deaH2 as ligand. These compounds show no evidence of slow relaxation behavior >1.8 K, which appears to be the consequence of the very weak or nonexistent magnetic interactions between the MnIII and LnIII ions resulting from the particular angles at the bridging oxygens. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Product Details of 2160-93-2

The Article related to manganese lanthanide tridecanuclear diethanolamine carboxylate cluster preparation, crystal structure manganese lanthanide tridecanuclear diethanolamine carboxylate cluster, magnetic property manganese lanthanide tridecanuclear diethanolamine carboxylate cluster, high nuclearity manganese lanthanide cluster preparation structure magnetic exchange and other aspects.Product Details of 2160-93-2

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On September 12, 2003, Bloom, Laura Anne; Boritzki, Theordore James; Kung, Pei-Pei; Ogden, Richard Charles; Skalitzky, Donald James; Zehnder, Luke Raymond; Kuhn, Leslie Ann; Meng, Jerry Jialun published a patent.Computed Properties of 72364-46-6 The title of the patent was Combination therapies for treating methylthioadenosine phosphorylase deficient cells. And the patent contained the following:

The invention is directed to combination therapies for treating cell proliferative disorders associated with methylthioadenosine phosphorylase (MTAP) deficient cells in a mammal. The combination therapies selectively kill MTAP-deficient cells by administering an inhibitor of de novo inosinate synthesis and an anti-toxicity agent. The inhibitors of de novo inosinate synthesis are inhibitors of glycinamide ribonucleotide formyltransferase (GARFT) and/or aminoinidazolecarboximide ribonucleotide formyltransferase (AICARFT). The anti-toxicity agent is an MTAP substrate [e.g., methylthioadenosine (MTA)], a precursor of MTA, an analog of an MTA precursor or a prodrug of an MTAP substrate. Glutamic acid derivative I is claimed as an example of a GARFT inhibitor and compounds II (R1, R2 = H or phosphate or sodium salts, carbamoyl, acyl, carboxy group or esters) are claimed as examples of anti-toxicity agents. Syntheses of these compounds is described and their use in combination therapy studied, e.g., data are given for the growth inhibitory effect of I in vitro on MTAP-competent and MTAP-deficient cells with and without methylthioadenosine as anti-toxicity agent. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Computed Properties of 72364-46-6

The Article related to combination therapy treatment methylthioadenosine phosphorylase deficient cell, pyridopyrimidinylethylthienoylglutamic acid derivative preparation cytotoxicity crystal structure, glutamic acid pyridopyrimidinylethylthienoyl preparation cytotoxicity crystal structure, antitumor pyridopyrimidinylethylthienoylglutamic acid derivative preparation and other aspects.Computed Properties of 72364-46-6

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