Tag: 100-200

Deng, Lisheng; Diao, Jiasheng; Chen, Pinhong; Pujari, Venugopal; Yao, Yuan; Cheng, Gang; Crick, Dean C.; Prasad, B. V. Venkataram; Song, Yongcheng published an article in Journal of Medicinal Chemistry. The title of the article was 《Inhibition of 1-Deoxy-d-Xylulose-5-Phosphate Reductoisomerase by Lipophilic Phosphonates: SAR, QSAR, and Crystallographic Studies》.Application In Synthesis of (4-Phenylpyridin-2-yl)methanol The author mentioned the following in the article:

1-Deoxy-D-xylulose-5-phosphate reductoisomerase (DXR) is a novel target for developing new antibacterial (including antituberculosis) and antimalaria drugs. Forty-one lipophilic phosphonates, representing a new class of DXR inhibitors, were synthesized, among which 5-phenylpyridin-2-ylmethylphosphonic acid possesses the most activity against E. coli DXR (EcDXR) with a Ki of 420 nM. Structure-activity relationships (SAR) are discussed, which can be rationalized using our EcDXR:inhibitor structures, and a predictive quant. SAR (QSAR) model is also developed. Since inhibition studies of DXR from Mycobacterium tuberculosis (MtDXR) have not been performed well, 48 EcDXR inhibitors with a broad chem. diversity were found, however, to generally exhibit considerably reduced activity against MtDXR. The crystal structure of a MtDXR:inhibitor complex reveals the flexible loop containing the residues 198-208 has no strong interactions with the 3,4-dichlorophenyl group of the inhibitor, representing a structural basis for the reduced activity. Overall, these results provide implications in the future design and development of potent DXR inhibitors. The results came from multiple reactions, including the reaction of (4-Phenylpyridin-2-yl)methanol(cas: 55218-73-0Application In Synthesis of (4-Phenylpyridin-2-yl)methanol)

(4-Phenylpyridin-2-yl)methanol(cas: 55218-73-0) belongs to hydroxy-containing compounds. Hydroxy-containing compounds engage in intermolecular hydrogen bonding increasing the electrostatic attraction between molecules and thus to higher boiling and melting points than found for compounds that lack this functional group. Organic compounds, which are often poorly soluble in water, become water-soluble when they contain two or more hydroxy groups, as illustrated by sugars and amino acid.Application In Synthesis of (4-Phenylpyridin-2-yl)methanol

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《Quantitative structure activity relationships of catechol derivatives on nerve growth factor secretion in L-M cells》 was written by Kourounakis, Angeliki; Bodor, Nicholas. Electric Literature of C10H14O2 And the article was included in Pharmaceutical Research on August 31 ,1995. The article conveys some information:

Although many catechol derivatives are potent stimulators of Nerve Growth Factor synthesis in L-M cells, not much is known about their mechanism of action. In order to obtain a Quant. Structure Activity Relationship (QSAR), AM1 quantum mech. calculations were performed on a group of 23 catechol derivatives with different levels of activity. A set of 18 parameters/descriptors were obtained by AM1 quantum mech. calculations for each catechol derivative Linear combinations of the calculated descriptors were fitted to the activity (as extracted from literature data) of the compounds by using simple or multiple regression anal. The results show that activity is associated with parameters related to the oxidation of the catechol derivatives, strongly supporting recent literature suggesting that an oxidative process is involved in their action. After reading the article, we found that the author used 4-Butylbenzene-1,2-diol(cas: 2525-05-5Electric Literature of C10H14O2)

4-Butylbenzene-1,2-diol(cas: 2525-05-5) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry. Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities. Electric Literature of C10H14O2

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《Effect of benzoic acid substituents and additional functional groups of ancillary ligands in modulating the nuclearity and aggregation behavior of transition metal carboxylates》 was written by Rajakannu, Palanisamy; Kaleeswaran, Dhananjayan; Banerjee, Subarna; Butcher, Ray J.; Murugavel, Ramaswamy. Name: 2,6-PyridinedimethanolThis research focused ontransition metal benzoato imidazole pyrazole complex preparation crystal structure; pyridinemethanol pyridinedimethanol transition metal benzoato complex preparation crystal structure; collidine transition metal benzoato complex preparation crystal structure. The article conveys some information:

Structural modulation of transition metal carboxylates was studied by employing different auxiliary ligands in the reactions of metal acetates with substituted benzoic acids. Neutral transition metal benzoates [Cu(tbba)2(imH)2] (1), [Cu(tipba)2(2,4,6-collidine)2] (2), [Co(tbba)2(dmpH)2] (3), [Co(tipba)2(imH)2] (4), [M(tmba)2(pymeH)2] (M = Cu (5), Co (6) and Zn (7)), [Zn(tmba)2(pydmeH2)] (8), [Cu2(tmba)2(pydmeH2)2][(tmba)2(tmbaH)2] (9) and [Zn2(dmp)2(tbba)2(dmpH)2] (10) were isolated as products from the reaction between the resp. metal acetates and substituted benzoic acids (acids used: 4-tert-butylbenzoic acid (tbbaH), 2,4,6-triisopropylbenzoic acid (tipbaH), 2,4,6-trimethylbenzoic acid (tmbaH)) and N-donor auxiliary ligands (imidazole (imH), 3,5-dimethylpyrazole (dmpH), 2,4,6-collidine, 2-pyridinemethanol (pymeH), and pyridine-2,6-dimethanol (pydmeH2)). The new complexes were characterized by both anal. and spectroscopic methods. The mol. structures of 1-10 have further been established by single crystal x-ray diffraction studies. The complexes 1-8 are mononuclear, while compounds 9 and 10 are dinuclear due to the role of benzoic acid in 9 and pyrazolate anion as bridging ligand in 10. The geometry around the metal ion is square-planar in 1 and 2, tetrahedral in 3, 4 and 10, octahedral in 5-7 and 9 and trigonal-bipyramidal in 8. Complexes with ligands that contain addnl. functional groups such as >NH and -OH are involved in hydrogen bonding interactions. These weak interactions give 1-dimensional linear polymers or 2-dimensional sheets.2,6-Pyridinedimethanol(cas: 1195-59-1Name: 2,6-Pyridinedimethanol) was used in this study.

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Additionally, pyridine-based natural products continue to be discovered and studied for their properties and to understand their biosynthesis.Name: 2,6-Pyridinedimethanol

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SDS of cas: 89466-08-0In 2020 ,《Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis》 was published in Journal of Medicinal Chemistry. The article was written by Wanior, Marek; Preuss, Franziska; Ni, Xiaomin; Kraemer, Andreas; Mathea, Sebastian; Goebel, Tamara; Heidenreich, David; Simonyi, Svenja; Kahnt, Astrid S.; Joerger, Andreas C.; Knapp, Stefan. The article contains the following contents:

Accessibility of the human genome is modulated by the ATP-driven SWI/SNF chromatin remodeling multiprotein complexes BAF (BRG1/BRM-associated factor) and PBAF (polybromo-associated BAF factor), which involves reading of acetylated histone tails by the bromodomain-containing proteins SMARCA2 (BRM), SMARCA4 (BRG1), and polybromo-1. Dysregulation of chromatin remodeling leads to aberrant cell proliferation and differentiation. Here, we have characterized a set of potent and cell-active bromodomain inhibitors with pan-selectivity for canonical family VIII bromodomains. Targeted SWI/SNF bromodomain inhibition blocked the expression of key genes during adipogenesis, including the transcription factors PPARγ and C/EBPα, and impaired the differentiation of 3T3-L1 murine fibroblasts into adipocytes. Our data highlight the role of SWI/SNF bromodomains in adipogenesis and provide a framework for the development of SWI/SNF bromodomain inhibitors for indirect targeting of key transcription factors regulating cell differentiation. The results came from multiple reactions, including the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0SDS of cas: 89466-08-0)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA), a synthetic molecule applied in RNA affinity chromatography, is able to form reversible covalent ester bonds with 1,2- or 1,3-cis-doils on the ribose ringSDS of cas: 89466-08-0

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Application In Synthesis of 6-Aminohexan-1-olIn 2021 ,《Selective acetate recognition and sensing using SWCNTs functionalized with croconamides》 was published in Sensors and Actuators, B: Chemical. The article was written by Yoon, Bora; Choi, Seon-Jin. The article contains the following contents:

Croconamides are a new class of dual-hydrogen bond donors that have attracted interest in anion recognition and sensing applications due to their strong H-bond donation capability. In this work, we report chemiresistive sensors for the detection of anions based on poly(4-vinylpyridine) (P4VP)-wrapped single-walled carbon nanotubes (SWCNTs) functionalized with croconamide-based selectors. Model structures of asym. N,Nsubstituted croconamide selectors with N,N-substitutional groups of alkyl cationic pyridinium and electronwithdrawing moieties such as aniline (6) and 3,5-bis(trifluoromethyl)phenyl (7) groups were synthesized and their binding affinities for various anions were characterized using UV-vis and 1H NMR titrations Switchable binding of oxoanions was observed with selector 7, wherein HSO4- formed hydrogen bonding interactions and acetate (AcO-) induced deprotonation of the NH- protons of the croconamide. Large sensitivity transitions were obtained toward AcO- for both P4VP-6-SWCNT (S = 95.68 ± 2.11) and P4VP-7-SWCNT (S = 140.91 ± 3.68) at 83.33 mM, which was attributed to deprotonation of the croconamide selectors upon addition of AcO-. Three serial sensors were assembled in a sensor array that rapid and selective screening of AcO- was demonstrated against other oxoanions such as HSO4- and H2PO4- in real-time. In the experimental materials used by the author, we found 6-Aminohexan-1-ol(cas: 4048-33-3Application In Synthesis of 6-Aminohexan-1-ol)

6-Aminohexan-1-ol(cas: 4048-33-3) can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine. It may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties.Application In Synthesis of 6-Aminohexan-1-ol

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SDS of cas: 89466-08-0In 2021 ,《Cross-Coupling through Ag(I)/Ag(III) Redox Manifold》 was published in Chemistry – A European Journal. The article was written by Demonti, Luca; Saffon-Merceron, Nathalie; Mezailles, Nicolas; Nebra, Noel. The article contains the following contents:

Trifluoromethyl argentates(III) undergo reductive elimination with arylboronic acids, yielding trifluoromethylarenes. In ample variety of transformations, the presence of silver as an additive or co-catalyst is believed to be innocuous for the efficiency of the operating metal catalyst. Even though Ag additives are required often as coupling partners, oxidants or halide scavengers, its role as a catalytically competent species is widely neglected in cross-coupling reactions. Most likely, this is due to the erroneously assumed incapacity of Ag to undergo 2e- redox steps. Definite proof is herein provided for the required elementary steps to accomplish the oxidative trifluoromethylation of arenes through AgI/AgIII redox catalysis (i. e. CEL coupling), namely: (i) easy AgI/AgIII 2e- oxidation mediated by air; (ii) bpy/phen ligation to AgIII; (iii) boron-to-AgIII aryl transfer; and (iv) ulterior reductive elimination of benzotrifluorides from an [aryl-AgIII-CF3] fragment. More precisely, an ultimate entry and full characterization of organosilver(III) compounds [K]+[AgIII(CF3)4]- (K-1), [(bpy)AgIII(CF3)3] (2) and [(phen)AgIII(CF3)3] (3), is described. The utility of 3 in cross-coupling has been showcased unambiguously, and a large variety of arylboron compounds was trifluoromethylated via [AgIII(aryl)(CF3)3]- intermediates. This work breaks with old stereotypes and misconceptions regarding the inability of Ag to undergo cross-coupling by itself. The results came from multiple reactions, including the reaction of 2-Hydroxyphenylboronic acid(cas: 89466-08-0SDS of cas: 89466-08-0)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA), a synthetic molecule applied in RNA affinity chromatography, is able to form reversible covalent ester bonds with 1,2- or 1,3-cis-doils on the ribose ringSDS of cas: 89466-08-0

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Reference of Azetidin-3-ol hydrochlorideIn 2014 ,《Discovery of Imigliptin, a Novel Selective DPP-4 Inhibitor for the Treatment of Type 2 Diabetes》 was published in ACS Medicinal Chemistry Letters. The article was written by Shu, Chutian; Ge, Hu; Song, Michael; Chen, Jyun-hong; Zhou, Huimin; Qi, Qu; Wang, Feng; Ma, Xifeng; Yang, Xiaolei; Zhang, Genyan; Ding, Yanwei; Zhou, Dapeng; Peng, Peng; Shih, Cheng-kon; Xu, Jun; Wu, Frank. The article contains the following contents:

We report our discovery of a novel series of potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors. Starting from a lead identified by scaffold-hopping approach, our discovery and development efforts were focused on exploring structure-activity relationships, optimizing pharmacokinetic profile, improving in vitro and in vivo efficacy, and evaluating safety profile. The selected candidate, Imigliptin, is now undergoing clin. trial. In the experiment, the researchers used Azetidin-3-ol hydrochloride(cas: 18621-18-6Reference of Azetidin-3-ol hydrochloride)

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Reference of Azetidin-3-ol hydrochloride Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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Category: alcohols-buliding-blocksIn 2018 ,《Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone》 was published in New Journal of Chemistry. The article was written by Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio. The article contains the following contents:

The ruthenium compounds [(η6-p-cymene)RuCl{κ2N-(HCNR)2}]NO3 (R = 4-C6H4Me, [1]NO3; 4-C6H4OH, [2]NO3; C6H11=Cy, [3]NO3; 4-C6H10OH, [4]NO3; tBu, [5]NO3) were prepared in high yields from [(p-cymene)RuCl2]2, AgNO3 and the appropriate α-diimine. Compounds [2]PF6 and [4]PF6 were obtained by a straightforward reaction of [(η6-p-cymene)RuCl(MeCN)0.66]PF6, [6]PF6, with α-diimine, whereas [4]BPh4 was obtained by metathesis between [4]NO3 and NaBPh4. All the ruthenium products were characterized by anal. methods, IR, NMR and UV-Vis spectroscopy; in addition, the structure of [1]NO3 was ascertained by an x-ray diffraction study. Compounds [1-4]NO3, [4]PF6 and [4]BPh4 were investigated as catalytic precursors in the transfer hydrogenation reaction of Et levulinate to γ-valerolactone in isopropanol solution under microwave irradiation [4]BPh4 was revealed to be the best catalytic precursor, affording γ-valerolactone in 62% yield under optimized exptl. conditions. In the part of experimental materials, we found many familiar compounds, such as trans-4-Aminocyclohexanol(cas: 27489-62-9Category: alcohols-buliding-blocks)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Category: alcohols-buliding-blocks

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The author of 《Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode》 were Fujimoto, Jun; Kurasawa, Osamu; Takagi, Terufumi; Liu, Xin; Banno, Hiroshi; Kojima, Takuto; Asano, Yasutomi; Nakamura, Akito; Nambu, Tadahiro; Hata, Akito; Ishii, Tsuyoshi; Sameshima, Tomoya; Debori, Yasuyuki; Miyamoto, Maki; Klein, Michael G.; Tjhen, Richard; Sang, Bi-Ching; Levin, Irena; Lane, Scott Weston; Snell, Gyorgy P.; Li, Ke; Kefala, Georgia; Hoffman, Isaac D.; Ding, Steve C.; Cary, Douglas R.; Mizojiri, Ryo. And the article was published in ACS Medicinal Chemistry Letters in 2019. COA of Formula: C6H13NO The author mentioned the following in the article:

General control nonderepressible 2 (GCN2) is a master regulator kinase of amino acid homeostasis and important for cancer survival in the tumor microenvironment under amino acid depletion. We initiated studies aiming at the discovery of novel GCN2 inhibitors as first-in-class antitumor agents and conducted modification of the substructure of sulfonamide derivatives with expected type I half binding on GCN2. Our synthetic strategy mainly corresponding to the αC-helix allosteric pocket of GCN2 led to significant enhancement in potency and a good pharmacokinetic profile in mice. In addition, compound 6d, which showed slow dissociation in binding on GCN2, demonstrated antiproliferative activity in combination with the asparagine-depleting agent asparaginase in an acute lymphoblastic leukemia (ALL) cell line, and it also displayed suppression of GCN2 pathway activation with asparaginase treatment in the ALL cell line and mouse xenograft model. In addition to this study using trans-4-Aminocyclohexanol, there are many other studies that have used trans-4-Aminocyclohexanol(cas: 27489-62-9COA of Formula: C6H13NO) was used in this study.

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.COA of Formula: C6H13NO

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In 2019,Advanced Functional Materials included an article by Kubiak, Joshua M.; MacFarlane, Robert J.. SDS of cas: 821-41-0. The article was titled 《Forming Covalent Crosslinks between Polymer-Grafted Nanoparticles as a Route to Highly Filled and Mechanically Robust Nanocomposites》. The information in the text is summarized as follows:

Filler aggregation in polymer matrix nanocomposites leads to inhomogeneity in particle distribution and deterioration of mech. properties. The use of polymer-grafted nanoparticles (PGNPs) with polymers directly attached to the particle surfaces precludes aggregation of the filler. However, solids composed of PGNPs are mech. weak unless the grafted chains are long enough to form entanglements between particles, and requiring long grafts limits the achievable filler d. of the nanocomposite. In this work, long, entangled grafts are replaced with short reactive polymers that form covalent crosslinks between particles. Crosslinkable PGNPs, referred to as XNPs, can be easily processed from solution and subsequently cured to yield a highly filled yet mech. robust composite. In this specific instance, silica nanoparticles are grafted with poly(glycidyl methacrylate), cast into films, and crosslinked with multifunctional amines at elevated temperatures Indentation and scratch experiments show significant enhancement of hardness, modulus, and scratch resistance compared to non-crosslinked PGNPs and to crosslinked polymer films without nanoparticle reinforcement. Loadings of up to 57 wt% are achieved while yielding uniform films that deform locally in a predominantly elastic manner. XNPs therefore potentially allow for the formulation of robust nanocomposites with a high level of functionality imparted by the selected filler particles. In addition to this study using 5-Hexen-1-ol, there are many other studies that have used 5-Hexen-1-ol(cas: 821-41-0SDS of cas: 821-41-0) was used in this study.

5-Hexen-1-ol(cas: 821-41-0) is a volatile organic compound. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.SDS of cas: 821-41-0

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