Category: 1116-98-9

SDS of cas: 1116-98-9. 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: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about The role of the π-bridge length in the performance of diketopyrrolopyrrole-based organic dyes for dye-sensitized solar cells.

Three novel diketopyrrolopyrrole-based metal-free organic dyes (TPh, BPh and SPh) with different π-bridge lengths were designed and synthesized for dye-sensitized solar cells (DSSCs). The Ph units were employed as the addnl. π-bridge for the three dyes, which located between the diketopyrrolopyrrole core and cyanoacrylic acid unit. Interestingly, it is the first time to report a diketopyrrolopyrrole-based dye with only one addnl. π-bridge unit (SPh). The effects of π-bridge length on photophys., mol. planarity, energy level and photovoltaic properties of the dyes were systematically investigated. The results revealed that the prolongation of π-bridge length by introducing an addnl. Ph unit results in an extra torsion in the structural framework and reduces the mol. planarity, which has a neg. impact on improving the light-harvesting ability, while it is beneficial in lowering the tendency of aggregation and enhancing the excited electron injection efficiency. Finally, with a moderate π-bridge length (BPh), the best balance of overall performances is achieved, resulting in the highest power conversion efficiency (6.57%) without chenodeoxycholic acid.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: tert-Butyl 2-cyanoacetate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about The GABAB receptor positive allosteric modulator COR659: In vitro metabolism, in vivo pharmacokinetics in rats, synthesis and pharmacological characterization of metabolically protected derivatives. Author is Ferlenghi, Francesca; Maccioni, Paola; Mugnaini, Claudia; Brizzi, Antonella; Fara, Federica; Mostallino, Rafaela; Paola, Castelli M.; Colombo, Giancarlo; Mor, Marco; Vacondio, Federica; Corelli, Federico.

We report an in vitro phase I metabolism study on COR659 (1), a 2-acylaminothiophene derivative able to suppress alc. and chocolate self-administration in rats, likely via pos. allosteric modulation of the GABAB receptor and antagonism/inverse agonism at the cannabinoid CB1 receptor. High performance liquid chromatog. coupled to tandem and high resolution mass spectrometry was employed for the characterization of in vitro metabolism and in vivo pharmacokinetics of COR659 in rats. In vitro [35S]GTPγS binding assays on stimulated GABAB and CB1 receptors, in combination with alc. and chocolate self-administration experiments in rats, were employed to assess the pharmacol. profile of this novel set of analogs, using COR659 as reference compound Eight metabolites of COR659 were discovered in liver microsomal incubates; two of them (M1, M2) were identified by comparison with synthetic reference standards In the novel set of COR659 analogs, those bearing branched alkyl substituents on the ester group, showed an improved in vitro metabolic stability (2-4), had an in vitro GABAB PAM (2-4) and/or CB1 partial agonist/antagonist profile (2-3) and maintained the ability to reduce alc. (2-4) and/or chocolate (4) self-administration in rats. Both PK and PD data ruled out any involvement of metabolite M1 in the in vivo potency of COR659 and 4. The present results, therefore, highlight the importance to design and synthesize novel compounds endowed with the dual activity profile and devoid of metabolic liabilities.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called One-Pot Synthesis of γ-Azidobutyronitriles and Their Intramolecular Cycloadditions, published in 2020-11-30, which mentions a compound: 1116-98-9, Name is tert-Butyl 2-cyanoacetate, Molecular C7H11NO2, Related Products of 1116-98-9.

Efficient gram-scale, one-pot approached to azidocyanobutyrates and their amidated or decarboxylated derivatives was developed, starting from com. available aldehydes and cyanoacetates. These techniques combine (1) Knoevenagel condensation, (2) Corey-Chaykovsky cyclopropanation and (3) nucleophilic ring opening of donor-acceptor cyclopropanes with the azide ion, as well as (4) Krapcho decarboxylation or (4′) amidation. The synthetic utility of the resulting γ-azidonitriles was demonstrated by their transformation into tetrazoles via intramol. (3+2)-cycloaddition A condition-dependent activation effect of the α-substituent was revealed in that case. Thermally activated azide-nitrile interaction did not differentiate the presence of an α-electron-withdrawing substituent in γ-azidonitriles, whereas the Lewis acid mediated (SnCl4or TiCl4) reaction proceeded much easier for azidocyanobutyrates. This allowed us to develop an efficient procedure for converting azidocyanobutyrates into the corresponding tetrazoles.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Formula: C7H11NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Synthesis and styrene copolymerization of novel alkyl ring-substituted t-butyl phenylcyanoacrylates. Author is Ibrahim, Daniah H.; Abu-Alrob, Tarick; Agoytia, Maria; Butterfield, John K.; Devine, Maura K.; Dinh, Jennifer Y.; Donis, Angelo R.; Folkes, Kristen A.; Khan, Firyal M.; Shishem, Caroline J.; Rocus, Sara M.; Schjerven, William S.; Kharas, Gregory B..

Novel alkyl ring-substituted tert-Bu phenylcyanoacrylates, RPhCH:C(CN)CO2C(CH3)3 (R = H, 2-Me, 3-Me, 4-Me, 2-Et, 4-Et, 4Pr, 4-CHMe2, 4-Bu, 4-i-butyl) were prepared and copolymerized with styrene. The acrylates were synthesized by the piperidine catalyzed Knoevenagel condensation of ring-substituted benzaldehydes and tert-Bu cyanoacetate, and characterized by CHN anal., IR, 1H and 13C NMR. All the ethylenes were copolymerized with styrene in solution with radical initiation (ABCN) at 70°. The compositions of the copolymers were calculated from N anal.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

COA of Formula: C7H11NO2. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about A prostate-specific membrane antigen activated molecular rotor for real-time fluorescence imaging. Author is Zhang, Jingming; Rakhimbekova, Anastasia; Duan, Xiaojiang; Yin, Qingqing; Foss, Catherine A.; Fan, Yan; Xu, Yangyang; Li, Xuesong; Cai, Xuekang; Kutil, Zsofia; Wang, Pengyuan; Yang, Zhi; Zhang, Ning; Pomper, Martin G.; Wang, Yiguang; Barinka, Cyril; Yang, Xing.

Surgery is an efficient way to treat localized prostate cancer (PCa), however, it is challenging to demarcate rapidly and accurately the tumor boundary intraoperatively, as existing tumor detection methods are seldom performed in real-time. To overcome those limitations, we develop a fluorescent mol. rotor that specifically targets the prostate-specific membrane antigen (PSMA), an established marker for PCa. The probes have picomolar affinity (IC50 = 63-118 pM) for PSMA and generate virtually instantaneous onset of robust fluorescent signal proportional to the concentration of the PSMA-probe complex. In vitro and ex vivo experiments using PCa cell lines and clin. samples, resp., indicate the utility of the probe for biomedical applications, including real-time monitoring of endocytosis and tumor staging. Experiments performed in a PCa xenograft model reveal suitability of the probe for imaging applications in vivo.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

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 A general method to optimize and functionalize red-shifted rhodamine dyes. Author is Grimm, Jonathan B.; Tkachuk, Ariana N.; Xie, Liangqi; Choi, Heejun; Mohar, Boaz; Falco, Natalie; Schaefer, Kathy; Patel, Ronak; Zheng, Qinsi; Liu, Zhe; Lippincott-Schwartz, Jennifer; Brown, Timothy A.; Lavis, Luke D..

Expanding the palette of fluorescent dyes is vital to push the frontier of biol. imaging. Although rhodamine dyes remain the premier type of small-mol. fluorophore owing to their bioavailability and brightness, variants excited with far-red or near-IR light suffer from poor performance due to their propensity to adopt a lipophilic, nonfluorescent form. Herein a framework for rationalizing rhodamine behavior in biol. environments and a general chem. modification for rhodamines that optimizes long-wavelength variants and enables facile functionalization with different chem. groups is reported. This strategy yields red-shifted ‘Janelia Fluor’ (JF) dyes useful for biol. imaging experiments in cells and in vivo.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

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 ).SDS of cas: 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.

Two novel D-π-A dyes (FD and SD) were synthesized for dye-sensitized solar cells (DSSCs). The two rod-shaped mols. with an identical π-spacer di(1-benzothieno)[3,2-b:2′,3′-d]pyrrole and with a different donor Group 5,11-dihydroindolo[3,2-b]carbazole for FD or 11,12-dihydroindolo[2,3-a]carbazole for SD were studied. Compared to FD, the sensitizer SD not only showed a broader absorption spectrum extended to IR region which was conducive to enhancing the light-trapping capability and thus to increase the photocurrent of the device fabricated with SD, but also exhibited better inhibition of dye aggregation resulting in a higher photovoltage. With the co-adsorption of chenodeoxycholic acid (CDCA), the photovoltaic performance of DSSCs based on the two dyes has dropped significantly. The aggregation of the two dyes FD and SD can be controlled by linking multiple branched alkyl chains in the structure. Finally, FD and SD-based cells without CDCA achieved power conversion efficiencies (PCE) of 7.20% and 7.47%, resp., in liquid DSSCs. Correspondingly, FD and SD displayed PCE values of 5.77% and 6.67% in quasi-solid-state DSSCs, resp., under standard global 1.5 solar conditions.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 1116-98-9. 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: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Stereodivergent synthesis via iridium-catalyzed asymmetric double allylic alkylation of cyanoacetate.

Methods that enable the rapid construction of multiple C-C bonds using a single catalyst with high diastereo- and enantio-control are particularly valuable in organic synthesis. Here, authors report an Ir-catalyzed double allylic alkylation reaction in which bisnucleophilic cyanoacetate reacted successionally with electrophilic π-allyl-Ir species, producing various pseudo-C2-sym. cyanoacetate derivatives in high yield with excellent stereocontrol. More challenging sequential allylic alkylation/allylic alkylation with two distinct allylic carbonates that can deliver the corresponding products bearing three contiguous tertiary-quaternary-tertiary stereocenters was also developed by using a modified catalytic system, which is revealed to be associated with the quasi-dynamic kinetic resolution of the initially formed diastereomeric monoallylation intermediates. Notably, stereodivergence for this sequential process depending on a single iridium catalyst was successfully realized, and up to six stereoisomers could be predictably prepared by combining the appropriate enantiomer of the chiral ligand for the iridium catalyst and adjusting the adding sequence of two distinct allylic precursors.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Category: imidazoles-derivatives. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Application of Vinamidinium Salt Chemistry for a Palladium Free Synthesis of Anti-Malarial MMV048: A “”Bottom-Up”” Approach. Author is Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan, N.; Ahmad, Saeed; Snead, David R..

MMV390048 is a clin. compound under investigation for antimalarial activity. A new synthetic route was developed which couples two aromatic fragments while forming the central pyridine ring over two steps. This sequence takes advantage of raw materials used in the existing etoricoxib supply chain and eliminates the need for palladium catalysts, which were projected to be major cost-drivers.

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Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Name: tert-Butyl 2-cyanoacetate. 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 Design, Synthesis, and Structure-Activity Relationship of N-Aryl-N’-(thiophen-2-yl)thiourea Derivatives as Novel and Specific Human TLR1/2 Agonists for Potential Cancer Immunotherapy. Author is Chen, Zhipeng; Zhang, Lina; Yang, Junjie; Zheng, Lu; Hu, Fanjie; Duan, Siqin; Nandakumar, Kutty Selva; Liu, Shuwen; Yin, Hang; Cheng, Kui.

Herein, the chem. optimization of initial hit, 1-phenyl-3-(thiophen-2-yl)urea, which resulted in the identification of SMU-C80 I (V) (EC50 = 31.02 ± 1.01 nM) as a TLR2-specific agonist with a 370-fold improvement in bioactivity was presented. Mechanistic studies revealed that SMU-C80 (V), through TLR1/2, recruits the adaptor protein MyD88 and triggers the NF-κB pathway to release cytokines such as TNF-α and IL-1βfrom human, but not murine, cells. To the best of the knowledge, it is the first species-specific TLR1/2 agonist reported until now. Moreover, SMU-C80 (V) increased the percentage of T, B, and NK cells ex vivo and activated the immune cells, which suppressed cancer cell growth in vitro. In summary, a highly efficient and specific human TLR1/2 agonist II (R1 = H, Et, iso-Pr, phenylethyl, etc.; R2 = 4-fluorophenyl, naphth-1-yl, 4-bromonaphth-1-yl, etc.; n = 1-3; Y = O, S), III (R3 = H, phenyl) and IV (X = CH, N) that acts through the MyD88 and NF-κB pathway, facilitating cytokine release and the simultaneous activation of immune cells that in turn affects the apoptosis of cancer cells was obtained.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem