Author: tianli

Ilavsky, D.; Kuthan, J. published an article about the compound: Pyridine-3,5-dicarbonitrile( cas:1195-58-0,SMILESS:N#CC1=CC(C#N)=CN=C1 ).Application of 1195-58-0. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1195-58-0) through the article.

Quantum-chem. interpretation is given for the UV spectra of mono-, di-, and trimethylated title compounds using the limited-configuration-interaction method on the bases of Hueckel MO and SCF wave functions. Results of both procedures agree well with exptl. The modifications agree also in qualities of individual transitions and weights of configurations. The influence of Me-group on 3,5-dicyanopyridine skeleton was followed by the electron d. change.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, U.S. Gov’t, P.H.S., Journal of Medicinal Chemistry called Design and Synthesis of Potent Nonpeptidic Farnesyltransferase Inhibitors Based on a Terphenyl Scaffold, Author is Ohkanda, Junko; Lockman, Jeffrey W.; Kothare, Mohit A.; Qian, Yimin; Blaskovich, Michelle A.; Sebti, Said M.; Hamilton, Andrew D., which mentions a compound: 16588-26-4, SMILESS is BrC1=C(C=CC(=C1)[N+](=O)[O-])Cl, Molecular C6H3BrClNO2, Application of 16588-26-4.

By modification of key carboxylate, hydrophobic, and zinc-binding groups projected from a sterically restricted terphenyl scaffold, a series of simple and nonpeptide mimetics of the Cys-Val-Ile-Met tetrapeptide substrate of protein farnesyltransferase (FTase) have been designed and synthesized. A crystal structure of 4-nitro-2-phenyl-3′-methoxycarbonylbiphenyl shows that the terphenyl fragment provides a large hydrophobic surface that potentially mimics the hydrophobic side chains of the three terminal residues in the tetrapeptide. 2-Phenyl-3-{N-[1-(4-cyanobenzyl)-1H-imidazol-5-yl]methyl}amino-3′-carboxylbiphenyl, in which the free thiol group was replaced with a 1-(4-cyanobenzyl)imidazole group, shows submicromolar inhibition activity against FTase in vitro and inhibits H-Ras processing in whole cells.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Confined Spaces in [n]Cyclo-2,7-pyrenylenes, the main research direction is cyclo pyrenylene inclusion reaction crystal mol structure; cycloparaphenylenes; host-guest systems; macrocycles; molecular recognition; supramolecular chemistry.Computed Properties of C8H12Cl2Pt.

A set of strained aromatic macrocycles based on [n]cyclo-2,7-(4,5,9,10-tetrahydro)pyrenylenes is presented with size-dependent photophys. properties. The K-region of pyrene was functionalized with ethylene glycol groups to decorate the outer rim and thereby confine the space inside the macrocycle. This confined space is especially pronounced for n=5, which leads to an internal binding of up to 8.0×104 M-1 between the ether-decorated [5]cyclo-2,7-pyrenylene and shape-complementary crown ether-cation complexes. Both the ether-decorated [n]cyclo-pyrenylenes as well as one of their host-guest complexes have been structurally characterized by single-crystal X-ray anal. In combination with computational methods the structural and thermodn. reasons for the exceptionally strong binding have been elucidated. The presented rim confinement strategy makes cycloparaphenylenes an attractive supramol. host family with a favorable, size-independent read-out signature and binding capabilities extending beyond fullerene guests.

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Name: 5-Methoxy-4-methylpyridin-3-amine. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 5-Methoxy-4-methylpyridin-3-amine, is researched, Molecular C7H10N2O, CAS is 77903-28-7, about A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease. Author is Kalindjian, S. Barret; Kadnur, Sanjay V.; Hewson, Christopher A.; Venkateshappa, Chandregowda; Juluri, Suresh; Kristam, Rajendra; Kulkarni, Bheemashankar; Mohammed, Zainuddin; Saxena, Rohit; Viswanadhan, Vellarkad N.; Aiyar, Jayashree; McVey, Donna.

Chemokine receptor 9 (CCR9), a cell surface chemokine receptor which belongs to the G protein-coupled receptor, 7-trans-membrane superfamily, is expressed on lymphocytes in the circulation and is the key chemokine receptor that enables these cells to target the intestine. It has been proposed that CCR9 antagonism represents a means to prevent the aberrant immune response of inflammatory bowel disease in a localized and disease specific manner and one which is accessible to small mol. approaches. One possible reason why clin. studies with vercirnon, a prototype CCR9 antagonist, were not successful may be due to a relatively poor pharmacokinetic (PK) profile for the mol. We wish to describe work aimed at producing new, orally active CCR9 antagonists based on the 1,3-dioxoisoindoline skeleton. This study led to a number of compounds that were potent in the nanomolar range and which, on optimization, resulted in several possible preclin. development candidates with excellent PK properties.

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Multinuclear Ag Clusters Sandwiched by Pt Complex Units: Fluxional Behavior and Chiral-at-Cluster Photoluminescence, published in 2021-05-10, which mentions a compound: 12080-32-9, mainly applied to silver cluster platinum complex fluxional rearrangement isomerization chiral luminescence; crystal structure mol silver cluster sandwiched platinum preparation optimized; Ag cluster; Pt complex; fluxional behavior; photoluminescence; sandwich complex, Recommanded Product: Dichloro(1,5-cyclooctadiene)platinum(II).

Multinuclear Ag clusters sandwiched by Pt complex units were synthesized and characterized by single crystal X-ray diffraction and NMR studies. The sandwich-shaped multinuclear Ag complexes showed two different types of fluxional behavior in solution: rapid slippage of Pt complex units on the Ag3 core and a reversible demetalation-metalation reaction by the treatment with Cl anion and Ag ion, resp. The Ag2 complex obtained by demetalation reaction from the Ag3 complex displayed U to Z isomerization. These multinuclear Ag complexes showed strong photoluminescence whose properties depended on the existence of Pt→Ag dative bonds. The Ag3 complex, identified to be “”chiral-at-cluster””, was optically resolved by the formation of a diastereomeric salt with a chiral anion. The enantiomers show CD (CD) and circularly polarized luminescence (CPL) properties which is unprecedented for compounds based on a chiral sandwich structure. Theor. calculations allow to understand their structural features and photophys. properties.

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Application In Synthesis of Dichloro(1,5-cyclooctadiene)platinum(II). The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Room-Temperature Phosphorescent Platinum(II) Alkynyls with Microsecond Lifetimes Bearing a Strong-Field Pincer Ligand. Author is Liska, Tadeas; Swetz, Anna; Lai, Po-Ni; Zeller, Matthias; Teets, Thomas S.; Gray, Thomas G..

The use of organometallic triplet emitters in organic light emitting diodes (OLEDs) is motivated by the premise of efficient intersystem crossing leading to unit internal quantum efficiencies. However, since most devices are based on solid-state components, an inherent limitation to square-planar Pt(II) phosphors is their tendency toward aggregation-based quenching. Here, a new class of emissive, four-coordinate Pt(II) species based on the bisimidazolyl carbazolide (BIMCA) ligand is introduced, which displays highly efficient, long-lived solid-state phosphorescence at room temperature A set of four BIMCAPt Ph acetylides were synthesized that emit in the green (λmax=507-540 nm) with >60% quantum yield and millisecond lifetimes. The structures of the resulting species reveal a nonplanar structure imposed by steric clashes between BIMCA and the iodo or alkynyl co-ligand. Ground-state and photophys. characterization are presented. D. functional theory calculations indicate that the BIMCA ligand dominates the frontier orbitals along with the 1st Franck-Condon singlet and triplet excited states.

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Formula: C12H13BrN2O2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 5-bromo-1H-indazole-1-carboxylate, is researched, Molecular C12H13BrN2O2, CAS is 651780-02-8, about Discovery of inhibitors of plasminogen activator inhibitor-1: Structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives. Author is Pandya, Vrajesh; Jain, Mukul; Chakrabarti, Ganes; Soni, Hitesh; Parmar, Bhavesh; Chaugule, Balaji; Patel, Jigar; Joshi, Jignesh; Joshi, Nirav; Rath, Akshyaya; Raviya, Mehul; Shaikh, Mubeen; Sairam, Kalapatapu V. V. M.; Patel, Harilal; Patel, Pankaj.

Two novel series of 5-nitro-2-phenoxybenzoic acid derivatives are designed as potent PAI-1 inhibitors using hybridization and conformational restriction strategy in the tiplaxtinin and piperazine chemo types. The lead compounds 5a, 6c, and 6e exhibited potent PAI-1 inhibitory activity and favorable oral bioavailability in the rodents.

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Reference of 3-Bromo-4-chloronitrobenzene. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Acid- and base-dependent hydrolysis of N-(sulfonatooxy)-3-bromoacetanilide: involvement of N-(3-bromophenyl)hydroxylamine O-sulfonate.

The title compound (I) undergoes hydrolysis at 80° and pH 1.0-8.0 by acid- and base-dependent processes and by an uncatalyzed path. The uncatalyzed reaction exhibits the same characteristics as the uncatalyzed N-O bond-cleavage reactions of the more reactive N-(sulfonatooxy)acetanilides. The pH-dependent paths involve the hydrolysis of I to form N-(3-bromophenyl)hydroxylamine O-sulfonate (II). II cannot be directly detected under the conditions of this study, but its existence can be inferred from product study and trapping data. Although II undergoes decomposition entirely by heterolytic N-O bond cleavage to yield m-BrC6H4N+H (III), a less reactive analog of II, i.e., N-(3-bromophenyl)-O-pivaloylhydroxylamine (IV), apparently undergoes competitive homolytic and heterolytic N-O bond cleavage to yield both m-NHC6H4Br radical and III. Both II and IV serve as models for certain suspected carcinogenic metabolites of polycyclic aromatic amines and amides.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Bromo-4-chloronitrobenzene, is researched, Molecular C6H3BrClNO2, CAS is 16588-26-4, about Optimization of Potent ATAD2 and CECR2 Bromodomain Inhibitors with an Atypical Binding Mode, the main research direction is ATAD2 CECR2 inhibitor cat eye syndrome bromodomains.Reference of 3-Bromo-4-chloronitrobenzene.

Most bromodomain inhibitors mimic the interactions of the natural acetylated lysine (KAc) histone substrate through key interactions with conserved asparagine and tyrosine residues within the binding pocket. Herein we report the optimization of a series of Ph sulfonamides that exhibit a novel mode of binding to non-bromodomain and extra terminal domain (non-BET) bromodomains through displacement of a normally conserved network of four water mols. Starting from an initial hit mol., we report its divergent optimization toward the ATPase family AAA domain containing 2 (ATAD2) and cat eye syndrome chromosome region, candidate 2 (CECR2) domains. This work concludes with the identification of (R)-55 (GSK232)(I), a highly selective, cellularly penetrant CECR2 inhibitor with excellent physicochem. properties.

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Hu, Di; Yang, Chen; Lok, Chun-Nam; Xing, Fangrong; Lee, Pui-Yan; Fung, Yi Man Eva; Jiang, Haibo; Che, Chi-Ming published the article 《An Antitumor Bis(N-Heterocyclic Carbene)Platinum(II) Complex That Engages Asparagine Synthetase as an Anticancer Target》. Keywords: platinum heterocyclic carbene synthesis anticancer asparagine synthetase proteome; N-heterocyclic carbenes; antitumor agents; asparagine synthetase; platinum complexes; thermal proteome profiling.They researched the compound: Dichloro(1,5-cyclooctadiene)platinum(II)( cas:12080-32-9 ).Name: Dichloro(1,5-cyclooctadiene)platinum(II). Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:12080-32-9) here.

New anticancer platinum(II) compounds with distinctive modes of action are appealing alternatives to combat the drug resistance and improve the efficacy of clin. used platinum chemotherapy. Herein, we describe a rare example of an antitumor PtII complex targeting a tumor-associated protein, rather than DNA, under cellular conditions. Complex [(bis-NHC)Pt(bt)]PF6 (1a; Hbt=1-(3-hydroxybenzo[b]thiophen-2-yl)ethanone) overcomes cisplatin resistance in cancer cells and displays significant tumor growth inhibition in mice with higher tolerable doses compared to cisplatin. The cellular Pt species shows little association with DNA, and localizes in the cytoplasm as revealed by nanoscale secondary ion mass spectrometry. An unbiased thermal proteome profiling experiment identified asparagine synthetase (ASNS) as a mol. target of 1a. Accordingly, 1a treatment reduced the cellular asparagine levels and inhibited cancer cell proliferation, which could be reversed by asparagine supplementation. A bis-NHC-ligated Pt species generated from the hydrolysis of 1 a forms adducts with thiols and appears to target an active-site cysteine of ASNS.

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