Category: 1116-98-9

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Synthesis and biological evaluation of new antitubulin agents containing 2-(3′, 4′, 5′ – trimethoxyanilino)-3,6-disubstituted-4,5,6,7- tetrahydrothieno[2,3-c]pyridine Scaffold.Quality Control of tert-Butyl 2-cyanoacetate.

Two novel compounds 4,5,6,7-tetrahydrothieno[2,3-c]pyridine and 4,5,6,7-tetrahydrobenzo[b]thiophene I [X = CH, N; R1 = CN, CO2Me, CO2Et, CO2t-Bu; R2 = Me, COMe, CO2Me, CO2Et, C6H5] were synthesized by the reaction of 3′,4′,5′ -trimethoxyanilino moiety and a cyano or an alkoxycarbonyl group at its 2- or 3-position, resp., and evaluated for antiproliferative activity on a panel of cancer cell lines and for selected highly active compounds, inhibition of tubulin polymerization and cell cycle effects. The comps. I [X = N, R1 = CN, R2 = CO2Me, CO2Et] had identified as new antiproliferative agents that inhibited cancer cell growth with IC50= 1.1 to 4.7μM against a panel of three cancer cell lines. Their interaction with tubulin at micromolar levels leads to the accumulation of cells in the G2/M phase of the cell cycle and to an apoptotic cell death. The cell apoptosis study found that compounds I [X = N, R1 = CN, R2 = CO2Me, CO2Et] were very effective in the induction of apoptosis in a dose-dependent manner. These two derivatives I [X = N, R1 = CN, R2 = CO2Me, CO2Et] did not induce cell death in normal human peripheral blood mononuclear cells, suggesting that they may be selective against cancer cells. Mol. docking studies confirmed that the inhibitory activity of these mols. on tubulin polymerization derived from binding to the colchicine site.

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Product Details of 1116-98-9. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about An enantioconvergent halogenophilic nucleophilic substitution (SN2X) reaction. Author is Zhang, Xin; Ren, Jingyun; Tan, Siu Min; Tan, Davin; Lee, Richmond; Tan, Choon-Hong.

Bimol. nucleophilic substitution (SN2) plays a central role in organic chem. In the conventionally accepted mechanism, the nucleophile displaces a carbon-bound leaving group X, often a halogen, by attacking the carbon face opposite the C-X bond. A less common variant, the halogenophilic SN2X reaction, involves initial nucleophilic attack of the X group from the front and as such is less sensitive to backside steric hindrance. Herein, we report an enantioconvergent substitution reaction of activated tertiary bromides by thiocarboxylates or azides that, on the basis of exptl. and computational mechanistic studies, appears to proceed via the unusual SN2X pathway. The proposed electrophilic intermediates, benzoylsulfenyl bromide and bromine azide, were independently synthesized and shown to be effective.

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Zhang, Hai; Chen, Zhen-E.; Hu, Jiefang; Hong, Yanping published an article about the compound: tert-Butyl 2-cyanoacetate( cas:1116-98-9,SMILESS:O=C(OC(C)(C)C)CC#N ).Product Details of 1116-98-9. 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:1116-98-9) through the article.

Three novel D-π-A type dyes DC1∼3, which consisting of indolo[2,3-a]carbazole as donor scaffold linked to the acceptor/anchoring unit cyanoacetic acid via different π-spacers, were successfully designed and synthesized. The structure, photophys. and electrochem. properties, and photovoltaic properties of the three sensitizers were investigated in detail. The results indicate that the donor 11,12-bis(2-ethylhexyl)-11,12-dihydroindolo[2,3-a]carbazole with two branched alkyl chains is effective in inhibiting the intermol. π-π Aggregation effects, and the auxiliary alkyl chains in the π-bridge cause the DC3-based DSSCs to exhibit higher open circuit voltages than that of the devices based on dye DC2. Among all of the devices fabricated with the dyes, the DC3-based cells without chenodeoxycholic acid (CDCA) exhibit the best photovoltaic performance, with a short-circuit c.d. of 10.98 mA cm-2, an open circuit voltage of 752 mV and a fill factor of 0.725, corresponding to a highest power conversion efficiency of 5.98% in liquid electrolyte.

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COA of Formula: C7H11NO2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Structural features of indoline donors in D-A-π-A type organic sensitizers for dye-sensitized solar cells. Author is Tanaka, Ellie; Mikhailov, Maxim S.; Gudim, Nikita S.; Knyazeva, Ekaterina A.; Mikhalchenko, Ludmila V.; Robertson, Neil; Rakitin, Oleg A..

We report three newly synthesized D-A-π-A metal-free organic sensitizers for dye-sensitized solar cells (DSSCs) based on benzo[c][1,2,5]thiadiazole as an internal acceptor (A) and N-substituted indolines fused with cyclopentane or cyclohexane as donor (D) building block. Optical and photovoltaic properties of the new MAX series dyes and solar cells based on them were considered in comparison with our previously-reported dye MAX114 and well-known dye WS-2. The effect of replacing the cyclopentane ring with a cyclohexane one, as well as a substituent at the nitrogen atom of the donor fragment (aromatic p-tolyl, non-aromatic benzyl and aliphatic 2-ethylhexyl) on the position of absorption maxima in UV/vis spectra, the EHOMO and ELUMO values of MAX series sensitizers and photocurrent d.-voltage trends of the corresponding solar cells were studied. It was shown that the MAX157 dye with a 9-(2-ethylhexyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazole donor fragment has a shorter-wavelength absorption maximum in the intra-mol. charge transfer absorption band with the largest molar extinction coefficient in comparison with the other dyes studied. The same dye applied to the TiO2 surface showed broader optical absorption compared to other dyes in the MAX series. All dyes have a relatively narrow HOMO-LUMO gap (1.80-1.90 eV). Amongst the series, DSSCs based on MAX157 dye recorded the best power conversion efficiency (PCE) of 5.2%, which increased to 5.8% when co-sensitized with SQ2 dye. All MAX dyes reached PCEs varying between 4.4-5.2%, superior to the reference WS-2 dye (3.6%).

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Imidazole – Wikipedia,
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Schakel, Laura; Mirza, Salahuddin; Pietsch, Markus; Lee, Sang-Yong; Keuler, Tim; Sylvester, Katharina; Pelletier, Julie; Sevigny, Jean; Pillaiyar, Thanigaimalai; Namasivayam, Vigneshwaran; Guetschow, Michael; Mueller, Christa E. published an article about the compound: tert-Butyl 2-cyanoacetate( cas:1116-98-9,SMILESS:O=C(OC(C)(C)C)CC#N ).Quality Control of tert-Butyl 2-cyanoacetate. 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:1116-98-9) through the article.

The antithrombotic prodrugs ticlopidine and clopidogrel are thienotetrahydro-pyridine derivatives that are metabolized in the liver to produce thiols that irreversibly block ADP (ADP)-activated P2Y12 receptors on thrombocytes. In their native, nonmetabolized form, both drugs were reported to act as inhibitors of ectonucleoside triphosphate diphosphohydrolase-1 (NTPDase1, CD39). CD39 catalyzes the extracellular hydrolysis of nucleoside tri- and diphosphates, mainly ATP (ATP) and ADP, yielding adenosine monophosphate, which is further hydrolyzed by ecto-5′-nucleotidase (CD73) to produce adenosine. While ATP has proinflammatory effects, adenosine is a potent anti-inflammatory, immunosuppressive agent. Inhibitors of CD39 and CD73 have potential as novel checkpoint inhibitors for the immunotherapy of cancer and infection. In the present study, we investigated 2-substituted thienotetrahydropyridine derivatives, structurally related to ticlopidine, as CD39 inhibitors. Due to their substituent on the 2-position, they will not be metabolically transformed into reactive thiols and can, therefore, be expected to be devoid of P2Y12 receptor-antagonistic activity in vivo. Several of the investigated 2-substituted thienotetrahydropyridine derivatives showed concentration-dependent inhibition of CD39. The most potent derivative, 32, showed similar CD39-inhibitory potency to ticlopidine, both acting as allosteric inhibitors. Compound 32 showed an improved selectivity profile: While ticlopidine blocked several NTPDase isoenzymes, 32 was characterized as a novel dual inhibitor of CD39 and CD73.

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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.Nguyen, Thanh Binh; Mac, Dinh Hung; Retailleau, Pascal researched the compound: tert-Butyl 2-cyanoacetate( cas:1116-98-9 ).Safety of tert-Butyl 2-cyanoacetate.They published the article 《Base-Catalyzed Three-Component Reaction of α-Cyanoacetates with Chalcones and Elemental Sulfur: Access to 2-Aminothiophenes Unobtainable via the Gewald Reaction》 about this compound( cas:1116-98-9 ) in Journal of Organic Chemistry. Keywords: cyanoacetate chalcone sulfur DABCO catalyst three component reaction; aminothiophene preparation. We’ll tell you more about this compound (cas:1116-98-9).

Although the Gewald reaction was well-known for more than half a century as an excellent method providing bioactive 2-aminothiophenes from reactions of α-cyanoacetates and carbonyl compounds and elemental sulfur, its application to dibenzoylmethanes as the carbonyl substrates was, however, unknown and exptl. proven unsuccessful. Here a convenient approach to such a series of compounds by a DABCO-catalyzed, one-pot, two-step, three-component reaction of α-cyanoacetate with chalcones and elemental sulfur was proposed. This catalytic strategy was highlighted by its excellent atom/step efficiency and high degree of structural diversification by simply choosing the suitable starting chalcones, which were unarguably much more readily available than dibenzoylmethanes.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem