Tag: 100-200

In 2017,Mishra, Sanket J.; Ghosh, Suman; Stothert, Andrew R.; Dickey, Chad A.; Blagg, Brian S. J. published 《Transformation of the Non-Selective Aminocyclohexanol-Based Hsp90 Inhibitor into a Grp94-Seletive Scaffold》.ACS Chemical Biology published the findings.Application of 27489-62-9 The information in the text is summarized as follows:

Glucose regulated protein 94 kDa, Grp94, is the endoplasmic reticulum (ER) localized isoform of heat shock protein 90 (Hsp90) that is responsible for the trafficking and maturation of toll-like receptors, Igs, and integrins. As a result, Grp94 has emerged as a therapeutic target to disrupt cellular communication, adhesion, and tumor proliferation, potentially with fewer side effects compared to pan-inhibitors of all Hsp90 isoforms. Although, the N-terminal ATP binding site is highly conserved among all four Hsp90 isoforms, recent cocrystal structures of Grp94 have revealed subtle differences between Grp94 and other Hsp90 isoforms that has been exploited for the development of Grp94-selective inhibitors. In the current study, a structure-based approach has been applied to a Grp94 nonselective compound, SNX 2112, which led to the development of 8j (ACO1), a Grp94-selective inhibitor that manifests ∼440 nM affinity and >200-fold selectivity against cytosolic Hsp90 isoforms. In the experiment, the researchers used many compounds, for example, trans-4-Aminocyclohexanol(cas: 27489-62-9Application of 27489-62-9)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Application of 27489-62-9

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Bahramzadeh, Saman; Tabarsa, Mehdi; You, SangGuan; Li, Changsheng; Bita, Seraj published an article on February 1 ,2019. The article was titled 《Purification, structural analysis and mechanism of murine macrophage cell activation by sulfated polysaccharides from Cystoseira indica》, and you may find the article in Carbohydrate Polymers.Computed Properties of C6H12O6 The information in the text is summarized as follows:

Sulfated polysaccharides were isolated and purified from the water extract of Cystoseira indica using DEAE Sepharose Fast Flow column to evaluate their structure and macrophage stimulating capacity. Crude and fractionated polysaccharides, CIF1 and CIF2, were mostly composed of neutral sugars (73.1%-78.6%) with relatively lower amounts of acidic sugars (1.3%-9.0%) and sulfate esters (6.9%-9.7%). The polymer chains of polysaccharides were mainly built of different levels of glucose (2.1%-30.8%), fucose (17.2%-24.4%), mannose (17.8%-20.6%) and galactose (16.7%-17.3%). The weight average mol. weight (Mw) of polysaccharides varied between 573.1 × 103 g/mol to 1146.6 × 103 g/mol. The CIF2 polysaccharide, as the most immunostimulating polysaccharide, remarkably induced the release of nitric oxide and inflammatory cytokines including TNF-α, IL-1β, IL-6 and IL-10 from RAW264.7 murine macrophage cells through NF-κB and MAPKs transduction signaling pathways via cell surface TLR4. The interconnections of sugars in CIF2 polysaccharide were complex with (1→3)-fucopyranose, (1→2,3,4)-glucopyranose, (→1)-galactopyranose, (→1)-xylopyranose, (1→2)-rhamnopyranose and (1→2,3)-mannopyranose units being the most predominant residues. After reading the article, we found that the author used rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1Computed Properties of C6H12O6)

rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1) is oxidized in various tissues under either aerobic or anaerobic conditions through glycolysis; the oxidation reaction produces carbon dioxide, water, and ATP.Computed Properties of C6H12O6

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Safety of 3-(4-Pyridyl)-2-propyn-1-olOn March 7, 2005, Feuerstein, Marie; Doucet, Henri; Santelli, Maurice published an article in Tetrahedron Letters. The article was 《Sonogashira cross-coupling reactions with heteroaryl halides in the presence of a tetraphosphine-palladium catalyst》. The article mentions the following:

Heteroaryl halides undergoes cross-couplings with alkynes in good yields in the presence of [PdCl(C3H5)]2/cis,cis,cis-1,2,3,4-tetrakis(diphenylphosphinomethyl)cyclopentane as catalyst. A variety of heteroaryl halides such as pyridines, quinolines, a pyrimidine, an indole, a thiophene, or a thiazole were used successfully. The reaction also tolerates several alkynes such as phenylacetylene and a range of alk-1-ynols. Furthermore, this catalyst can be used at low loading with some substrates. In addition to this study using 3-(4-Pyridyl)-2-propyn-1-ol, there are many other studies that have used 3-(4-Pyridyl)-2-propyn-1-ol(cas: 93524-95-9Safety of 3-(4-Pyridyl)-2-propyn-1-ol) was used in this study.

3-(4-Pyridyl)-2-propyn-1-ol(cas: 93524-95-9) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Safety of 3-(4-Pyridyl)-2-propyn-1-ol

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《Structure Revision of Protoaculeine B, a Post-translationally Modified N-Terminal Residue in the Peptide Toxin Aculeine B》 was written by Irie, Raku; Miyako, Kei; Matsunaga, Satoko; Sakai, Ryuichi; Oikawa, Masato. Computed Properties of C8H19NO2 And the article was included in Journal of Natural Products on April 23 ,2021. The article conveys some information:

The structure of protoaculeine B, the N-terminal residue of the marine peptide toxin aculeine B, is revised to the cis-1,3-disubstituted tetrahydro-β-carboline framework. We prepared two truncated model compounds that lack a long-chain polyamine using the one-step Pictet-Spengler reaction of tryptophan and compared their NMR, mass spectra, and chem. reactivity with those of the natural protoaculeine B. The synthetic models reproduced the profiles of the natural product well, which confirmed the appropriateness of the structure revision. After reading the article, we found that the author used 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Computed Properties of C8H19NO2)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Computed Properties of C8H19NO2

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《Gel chromatographic behavior of mononuclear aromatic hydrocarbons and phenols》 was published in Journal of Chromatography in 1974. These research results belong to Coupek, Jiri; Pokorny, Svatopluk; Pospisil, Jan. Name: 4-Butylbenzene-1,2-diol The article mentions the following:

The gel chromatog. behavior of aromatic hydrocarbons and phenols during elution with THF in columns packed with styrene-divinylbenzene copolymer was investigated. From the elution volumes of 27 aromatic hydrocarbons and 80 phenols, conclusions were drawn about the effects of the types and positions of substituents and of the numbers and positions of phenolic hydroxyl groups on the elution volumes of these compounds in the system under investigation. The effects of the size of the alkyl substituents and of their positions with respect to the hydroxyl group of phenols were determined, and the partial contributions of the alkyl and hydroxyl groups to the elution volumes were calculated Chromatog. results were used for the characterization of the solvatability of phenolic mols. with THF and as the basis of a discussion of problems of the steric hindrance of hydroxyl groups due to neighboring substituents. In addition to this study using 4-Butylbenzene-1,2-diol, there are many other studies that have used 4-Butylbenzene-1,2-diol(cas: 2525-05-5Name: 4-Butylbenzene-1,2-diol) was used in this study.

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.Name: 4-Butylbenzene-1,2-diol Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities.

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Application In Synthesis of Azetidin-3-ol hydrochlorideIn 2017 ,《Design, Synthesis, and Structure-Activity Relationship of Tetrahydropyrido[4,3-d]pyrimidine Derivatives as Potent Smoothened Antagonists with in Vivo Activity》 was published in ACS Chemical Neuroscience. The article was written by Lu, Wenfeng; Liu, Yongqiang; Ma, Haikuo; Zheng, Jiyue; Tian, Sheng; Sun, Zhijian; Luo, Lusong; Li, Jiajun; Zhang, Hongjian; Yang, Zeng-Jie; Zhang, Xiaohu. The article contains the following contents:

Abstract: Medulloblastoma is one of the most prevalent brain tumors in children. Aberrant hedgehog (Hh) pathway signaling is thought to be involved in the initiation and development of medulloblastoma. Vismodegib, the first FDA-approved cancer therapy based on inhibition of aberrant hedgehog signaling, targets smoothened (Smo), a G-protein coupled receptor (GPCR) central to the Hh pathway. Although vismodegib exhibits promising therapeutic efficacy in tumor treatment, concerns have been raised from its nonlinear pharmacokinetic (PK) profiles at high doses partly due to low aqueous solubility Many patients experience adverse events such as muscle spasms and weight loss. In addition, drug resistance often arises among tumor cells during treatment with vismodegib. There is clearly an urgent need to explore novel Smo antagonists with improved potency and efficacy. Through a scaffold hopping strategy, the authors have identified a series of novel tetrahydropyrido[4,3-d]pyrimidine derivatives, which exhibited effective inhibition of Hh signaling. Among them, compound I is three times more potent than vismodegib in the NIH3T3-GRE-Luc reporter gene assay. Compound I has lower m.p. and much greater solubility compared with vismodegib, resulting in linear PK profiles when dosed orally at 10, 30, and 100 mg/kg in rats. Furthermore, compound I showed excellent PK profiles with a 72% oral bioavailability in beagle dogs. Compound I demonstrated overall favorable in vitro safety profiles with respect to CYP isoform and hERG inhibition. Finally, compound I led to significant regression of s.c. tumor generated by primary Ptch1-deficient medulloblastoma cells in SCID mouse. In conclusion, tetrahydropyrido[4,3-d]pyrimidine derivatives represent a novel set of Smo inhibitors that could potentially be utilized to treat medulloblastoma and other Hh pathway related malignancies. The results came from multiple reactions, including the reaction of Azetidin-3-ol hydrochloride(cas: 18621-18-6Application In Synthesis 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.Application In Synthesis 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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Product Details of 100-83-4In 2019 ,《Covalent immobilization of Co complex on the surface of SBA-15: Green, novel and efficient catalyst for the oxidation of sulfides and synthesis of polyhydroquinoline derivatives in green condition》 was published in Polyhedron. The article was written by Ghorbani-Choghamarani, Arash; Mohammadi, Masoud; Tamoradi, Taiebeh; Ghadermazi, Mohammad. The article contains the following contents:

In this work, a green and novel catalyst was prepared through immobilization of cobalt complex on the surface of mesostructured SBA-15 and characterized by TGA, SEM, FT-IR, EDX, ICP, BET and X-ray mapping anal. methods. This mesostructural material was used as an efficient and green interphase catalyst for the oxidation reactions and synthesis of polyhydroquinoline derivatives All reactions were performed in short times and good yields. Moreover, the prepared catalyst could be used up to six runs without significant degradation in its catalytic activity or cobalt leaching. In the part of experimental materials, we found many familiar compounds, such as 3-Hydroxybenzaldehyde(cas: 100-83-4Product Details of 100-83-4)

3-Hydroxybenzaldehyde(cas: 100-83-4) is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.Product Details of 100-83-4

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Recommanded Product: 1195-59-1In 2019 ,《Metal-ligand cooperativity in a ruthenium(II) complex of bis-azoaromatic ligand for catalytic dehydrogenation of alcohols》 was published in Inorganica Chimica Acta. The article was written by Saha, Tanushri; Pramanick, Rajib; Sengupta, Debabrata; Goswami, Sreebrata. The article contains the following contents:

Herein a new Ru-phosphine complex (1) with mol. formula [RuL(PPh3)Cl2] is reported where L is a redox active pincer ligand 2,6-bis(phenylazo)pyridine. The isolated complex was characterized by usual spectroscopic techniques including single crystal x-ray crystallog. anal. Complex 1 efficiently catalyzes aerobic oxidation of a wide range of primary and secondary benzylic, allylic, heterocyclic, alicyclic alcs. under mild conditions and is superior over several other Ru (0, +2 and +3), Ru-H and Ru-PPh3 catalysts. Mechanistic studies indicate that a transient Ru-H intermediate is formed in the catalytic cycle which gets switched into a Ru-hydrazo intermediate via hydrogen-walking mechanism. The catalyst is regenerated by aerial oxidation producing H2O2 as a byproduct. In the experimental materials used by the author, we found 2,6-Pyridinedimethanol(cas: 1195-59-1Recommanded Product: 1195-59-1)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Recommanded Product: 1195-59-1

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Fergus, Claire; Al-qasem, Mashael; Cotter, Michelle; McDonnell, Ciara M.; Sorrentino, Emiliano; Chevot, Franciane; Hokamp, Karsten; Senge, Mathias O.; Southern, John M.; Connon, Stephen J.; Kelly, Vincent P. published an article in 2021. The article was titled 《The human tRNA-guanine transglycosylase displays promiscuous nucleobase preference but strict tRNA specificity》, and you may find the article in Nucleic Acids Research.Synthetic Route of C9H11NO The information in the text is summarized as follows:

Base-modification can occur throughout a tRNA mol.; however, elaboration is particularly prevalent at position 34 of the anticodon loop (the wobble position), where it functions to influence protein translation. Previously, we demonstrated that the queuosine modification at position 34 can be substituted with an artificial analog via the queuine tRNA ribosyltransferase enzyme to induce disease recovery in an animal model of multiple sclerosis. Here, we demonstrate that the human enzyme can recognize a very broad range of artificial 7-deazaguanine derivatives for tRNA incorporation. By contrast, the enzyme displays strict specificity for tRNA species decoding the dual synonymous NAU/C codons, determined using a novel enzyme-RNA capture-release method. Our data highlight the broad scope and therapeutic potential of exploiting the queuosine incorporation pathway to intentionally engineer chem. diversity into the tRNA anticodon. After reading the article, we found that the author used (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7Synthetic Route of C9H11NO)

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Synthetic Route of C9H11NO

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Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C. published their research in Dalton Transactions in 2021. The article was titled 《Further synthetic investigation of the general lanthanoid(III) [Ln(III)]/copper(II)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuII5LnIII4} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(III) analogue》.Quality Control of 2,6-Pyridinedimethanol The article contains the following contents:

In addition to previously studied {CuII3Gd6}, {CuII8Gd4}, {CuII15Ln7} and {CuII4Ln8} coordination clusters (Ln = trivalent lanthanide) containing pdm2- or Hpdm- ligands (H2pdm = pyridine-2,6-dimethanol) and ancillary carboxylate groups (RCO2-), the present work reports the synthesis and study of three new members of a fifth family of such complexes. Compounds [Cu5Ln4O2(OMe)4(NO3)4(O2CCH2But)2(pdm)4(MeOH)2] (Ln = Dy, 1; Ln = Tb, 2; Ln = Ho, 3) were prepared from the reaction of Ln(NO3)3·xH2O (x = 5, 6), CuX2·yH2O (X = ClO4, Cl, NO3; y = 6, 2 and 3, resp.), H2pdm, ButCH2CO2H and Et3N (2 : 2.5 : 2 : 1 : 9) in MeCN/MeOH. Rather surprisingly, the copper(II)/yttrium(III) analog has a slightly different composition, i.e. [Cu5Y4O2(OMe)4(NO3)2(O2CCH2But)4(pdm)4(MeOH)2] (4). The structures of 1·4MeCN·1.5MeOH and 4·2MeOH were solved by single-crystal x-ray crystallog. The five CuII and four DyIII centers in 1 are held together by two μ5-O2-, four μ-MeO-, two syn,syn η1:η1:μ ButCH2CO2-, four η2:η1:η2:μ3 pdm2- (each of these groups chelates a CuII atom and simultaneously bridges two DyIII atoms through its two -CH2O- arms) and two μ-MeOH ligands. The four terminal nitrato groups each chelate (η1:η1) a DyIII center. The five CuII atoms are co-planar (by symmetry) forming a bow-tie arrangement; the four outer CuII atoms form a rectangle with edges of 3.061(1) and 6.076(1) Å. The four DyIII centers also form a rectangle that lies above and below the plane of the CuII centers, with edges of 3.739(1) and 5.328(1) Å. The two strictly planar rectangles are almost perpendicular. Two trigonal bipyramidal μ5-O2- groups link the perpendicular Cu5 and Dy4 frameworks together. The mol. 4 has a very similar structure to that of 1, differences being the replacement of the two chelating nitrato groups of 1 by two chelating ButCH2CO2- ligands in 4 and the coordination polyhedra of the LnIII and YIII atoms (Snub diphenoids in 1 and biaugmented trigonal prisms in 4). Dc magnetic susceptibility data (χM) on anal. pure samples of 1-3, collected in the 300-2 K range, indicate that ferromagnetic exchange interactions dominate leading to large spin ground states. The χMT vs. T data for 4 suggest moderately strong antiferromagnetic CuII···CuII exchange interactions. Studies of the dynamic magnetic properties of the {Cu5Ln4} clusters show that 1 behaves as a SMM at zero field and 2 is a very weak field-induced SMM, while 3 exhibits only weak tails in the χ”Mvs. T plots at various ac frequencies at zero dc field. After reading the article, we found that the author used 2,6-Pyridinedimethanol(cas: 1195-59-1Quality Control of 2,6-Pyridinedimethanol)

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Quality Control of 2,6-Pyridinedimethanol

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