Month: April 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-Bromoundecane(SMILESS: CCCCCCCCCCCBr,cas:693-67-4) is researched.Application In Synthesis of Ethyl indoline-2-carboxylate. The article 《Anodic Oxidation of Dithiane Carboxylic Acids: A Rapid and Mild Way to Access Functionalized Orthoesters》 in relation to this compound, is published in Organic Letters. Let’s take a look at the latest research on this compound (cas:693-67-4).

A new electrochem. methodol. has been developed for the preparation of a wide variety of functionalized orthoesters under mild and green conditions from easily accessible dithiane derivatives The new methodol. also offers an unprecedented way to access tri(fluorinated) orthoesters, a class of compound that has never been studied before. This provides the community with a rapid and general method to prepare libraries of functionalized orthoesters from simple and readily available starting materials.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Synthetic Route of C6H6N2O. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Discovery of a Potent Picolinamide Antibacterial Active against Clostridioides difficile. Author is Speri, Enrico; Janardhanan, Jeshina; Masitas, Cesar; Schroeder, Valerie A.; Lastochkin, Elena; Wolter, William R.; Fisher, Jed F.; Mobashery, Shahriar; Chang, Mayland.

A major challenge for chemotherapy of bacterial infections is perturbation of the intestinal microbiota. Clostridioides difficile is a Gram-pos. bacterium of the gut that can thrive under this circumstance. Its production of dormant and antibiotic-impervious spores results in chronic disruption of normal gut flora and debilitating diarrhea and intestinal infection. C. difficile is responsible for 12,800 deaths per yr in the United States. Here, we report the discovery of 2-(4-(3-(trifluoromethoxy)phenoxy)picolinamido)benzo[d]oxazole-5-carboxylate as an antibacterial with potent and selective activity against C. difficile. Its MIC50 and MIC90 (the concentration required to inhibit the growth of 50% and 90% of all the tested strains, resp.) values, documented across 101 strains of C. difficile, are 0.12 and 0.25μg/mL, resp. The compound targets cell wall biosynthesis, as assessed by macromol. biosynthesis assays and by SEM. Animals infected with a LD of C. difficile and treated with compound 1 had a similar survival compared to treatment with vancomycin, which is the frontline antibiotic used for C. difficile infection.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Formula: C6H6N2O. 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: Picolinamide, is researched, Molecular C6H6N2O, CAS is 1452-77-3, about Conceptual design, environmental, and economic evaluation of direct copolymerization process of carbon dioxide and 1,4-butanediol. Author is Yu, Yueh-Cheng; Wang, Ting-Ya; Chang, Li-Hsuan; Wu, Pei-Jhen; Yu, Bor-Yih; Yu, Wen-Yueh.

The routes to convert CO2 into environmentally benign materials have attracted wide attentions. In this work, an emerging process to produce poly(butylene carbonate) (or PBC) from direct copolymerization of carbon dioxide and 1,4-butanediol is firstly simulated with analyses on the CO2 emission ratio (CO2-e, in kg-CO2/kg-PBC) and yearly unit manufacturing cost of product (YUMC, in USD/kg). In order to address the issues associated with large amount of solvents used in the lab scale, two proposed scenarios including the reduction of solvent amount, and heat integration by vapor recompression cycle (VRC) were simulated. It is found that CO2-e is reduced by 82.0% (from 30.06 to 5.42) when the solvent amount is reduced to 10%, and another 19.9% reduction in CO2-e (to 4.34) when applying the VRC. YUMCs are reduced by ca. 68% for both proposed scenarios (from 5.62 to ca. 1.8). The findings reported in this study may prove informative for developing CO2 conversion technologies from lab scale to industrial scale.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Ishida, Takashi; Yoshimura, Haruna; Takekawa, Masatsugu; Higaki, Takumi; Ideue, Takashi; Hatano, Masaki; Igarashi, Masayuki; Tani, Tokio; Sawa, Shinichiro; Ishikawa, Hayato published the article 《Discovery, characterization and functional improvement of kumamonamide as a novel plant growth inhibitor that disturbs plant microtubules》. Keywords: kumamonamide preparation herbicide plant microtubule actin filament SAR.They researched the compound: 1-Bromoundecane( cas:693-67-4 ).Application of 693-67-4. 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:693-67-4) here.

In the present study, authors discovered a novel N-alkoxypyrrole compound, kumamonamide from Streptomyces werraensis MK493-CF1 and established a total synthesis procedure. Resulted in the bioactivity assays, it was found that kumamonamic acid, a synthetic intermediate of kumamonamide, is a potential plant growth inhibitor. Further, various derivatives of kumamonamic acid are developed, including a kumamonamic acid nonyloxy derivative (KAND), which displayed high herbicidal activity without adverse effects on HeLa cell growth. Authors also detected that kumamonamic acid derivatives disturb plant microtubules; and addnl., that KAND affected actin filaments and induced cell death. These multifaceted effects differ from those of known microtubule inhibitors, suggesting a novel mode of action of kumamonamic acid, which represents an important lead for the development of new herbicides.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

SDS of cas: 882562-40-5. 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: 3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole, is researched, Molecular C18H11Cl2N3O2S, CAS is 882562-40-5, about Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. Author is Marineau, Jason J.; Hamman, Kristin B.; Hu, Shanhu; Alnemy, Sydney; Mihalich, Janessa; Kabro, Anzhelika; Whitmore, Kenneth Matthew; Winter, Dana K.; Roy, Stephanie; Ciblat, Stephane; Ke, Nan; Savinainen, Anneli; Wilsily, Ashraf; Malojcic, Goran; Zahler, Robert; Schmidt, Darby; Bradley, Michael J.; Waters, Nigel J.; Chuaqui, Claudio.

CDK7 has emerged as an exciting target in oncol. due to its roles in two important processes that are misregulated in cancer cells: cell cycle and transcription. This report describes the discovery of SY-5609, a highly potent (sub-nM CDK7 Kd) and selective, orally available inhibitor of CDK7 that entered the clinic in 2020 (ClinicalTrials.gov Identifier: NCT04247126). Structure-based design was leveraged to obtain high selectivity (>4000-times the closest off target) and slow off-rate binding kinetics desirable for potent cellular activity. Finally, incorporation of a phosphine oxide as an atypical hydrogen bond acceptor helped provide the required potency and metabolic stability. The development candidate SY-5609 displays potent inhibition of CDK7 in cells and demonstrates strong efficacy in mouse xenograft models when dosed as low as 2 mg/kg.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Griffith, Darren; Bergamo, Alberta; Pin, Sara; Vadori, Marta; Mueller-Bunz, Helge; Sava, Gianni; Marmion, Celine J. published the article 《Novel platinum pyridine-hydroxamic acid complexes: Synthesis, characterization, X-ray crystallographic study and nitric oxide related properties》. Keywords: pyridinehydroxamic acid preparation complexation platinum; crystal structure platinum pyridinehydroxamato chloro complex; platinum pyridinehydroxamato pyridinecarboxylato complex preparation; ruthenium nitrosyl chloro ethylenediaminetetraacetato complex preparation; vasorelaxation agent platinum pyridinehydroxamato pyridinecarboxylato complex; nitric oxide release platinum pyridinehydroxamato complex.They researched the compound: cis-Dichlorobis(pyridine)platinum(II)( cas:15227-42-6 ).Application In Synthesis of cis-Dichlorobis(pyridine)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:15227-42-6) here.

We describe the synthesis and characterization of a novel class of PtII and PtIV pyridine-hydroxamic acid (pyhaH) complexes of general formula cis-[PtIICl2(x-pyhaH)2] and cis-[PtIVCl4(x-pyhaH)2], resp., (where x = 3 or 4) in which the pyridine-hydroxamic acid is coordinated to the platinum ion via the pyridine nitrogen only leaving the hydroxamic acid free to potentially release cytotoxic nitric oxide (NO). The crystal structure of the PtIV derivative, cis-[PtCl4(4-pyhaH)2]·2CH3OH is reported. To establish the biol. effect of the uncoordinated hydroxamic acid moiety in the PtII compounds, the corresponding pyridinecarboxylic acid (pycaH) complexes of general formula cis-[PtIICl2(x-pycaH)2] (where x = 3 or 4) and the PtII pyridine (py) complex cis-[PtIICl2(py)2] were synthesized and served as reference standards The NO-releasing properties of each of the PtII compounds, the pyhaH and the pycaH ligands were studied. The PtII pyridine-hydroxamic acid derivatives were found to induce potent in vitro effects attributable to either NO-release from the hydroxamic acid moiety and/or stimulation of inducible nitric oxide synthase of endothelial cells.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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.Rieth, Thorsten; Tober, Natalie; Limbach, Daniel; Haspel, Tobias; Sperner, Marcel; Schupp, Niklas; Wicker, Philipp; Glang, Stefan; Lehmann, Matthias; Detert, Heiner researched the compound: 1-Bromoundecane( cas:693-67-4 ).Name: 1-Bromoundecane.They published the article 《Impact of substitution pattern and chain length on the thermotropic properties of alkoxy-substituted triphenyl-tristriazolotriazines》 about this compound( cas:693-67-4 ) in Molecules. Keywords: cyanuric chloride alkoxyaryltetrazole preparation cyclocondensation; trisalkoxyaryl tristriazolotriazine preparation thermal isomerization; X-ray diffraction; differential scanning calorimetry; discotic liquid crystals; heterocycles; polarizing optical microscopy; star-shaped compounds; structure–property relation; swallow-tail. We’ll tell you more about this compound (cas:693-67-4).

Tristriazolotriazines with a threefold alkoxyphenyl substitution were prepared and studied by DSC, polarized optical microscopy (POM) and X-ray scattering. Six pentyloxy chains are sufficient to induce liquid-crystalline behavior in these star-shaped compounds Thermotropic properties of tristriazolotriazines with varying substitution patterns and a periphery of linear chains of different lengths, branching in the chain and swallow-tails, are compared. Generally, these disks display broad and stable thermotropic mesophases, with the tangential tristriazolotriazines being superior to the radial isomer. The structure-property relationships of the number of alkyl chains, their position, length and structure were studied.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Category: tetrahydroisoquinoline. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-Dichlorobis(pyridine)platinum(II), is researched, Molecular C10H10Cl2N2Pt, CAS is 15227-42-6, about Oxidation of platinum(II) complexes by antimony pentachloride derivatives. Author is Kukushkin, V. Yu.; Tkachuk, V. M..

[Ph3PCH2Ph]2[PtXCl3] (X = Cl, NO2) are oxidized by Sb(BzCl)Cl5 (I) or Et3NCH2Ph[SbCl6] (II) in MeNO2, MeCN or DMF to give (Ph3PCH2Ph)2[PtXCl5]. SbCl5 oxidizes cis- and trans-Pt(py)2Cl2 to give cis- and trans-[Pt(py)2Cl4], resp. I oxidizes trans-[Pt(NH2CH2CO2H)2Cl2] to give trans-[Pt(NH2CH2CO2H)2Cl4] which on reaction with PCl5 in MeCN gives trans-[Pt(NH2CH2COCl)2Cl4]. [Pt(py)4]Cl2 reacted with I to give trans-[Pt(py)2Cl4]. cis- And trans-[PtL2Cl2] (L = PPh3, SMe2) are not oxidized by I or II.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

Pfeffer, M.; Braunstein, P.; Dehand, J. published the article 《Spectroscopic study of square planar compounds of platinum(II) and palladium(II) with substituted pyridines. I. Vibrations of the ligands》. Keywords: platinum pyridine complex IR; palladium pyridine complex IR; pyridine metal complex IR.They researched the compound: cis-Dichlorobis(pyridine)platinum(II)( cas:15227-42-6 ).Application In Synthesis of cis-Dichlorobis(pyridine)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:15227-42-6) here.

The ir spectra of methylpyridine Pt(II) and Pd(II) complexes were observed at 400-1700 cm-1. Bands were obtained which were displaced by coordination of the ligand or which were characteristics of cis and trans configurations of the planar complexes.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem

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.Albayer, Mohammad; Withanage, Nilan; Dutton, Jason researched the compound: cis-Dichlorobis(pyridine)platinum(II)( cas:15227-42-6 ).Recommanded Product: cis-Dichlorobis(pyridine)platinum(II).They published the article 《Metathesis reactions between heavy D8 fluorides and I(III)-pyridine complexes》 about this compound( cas:15227-42-6 ) in ChemRxiv. Keywords: iodine pyridine complex fluoride metathesis reaction; gold pyridine complex preparation; palladium pyridine complex preparation; platinum pyridine complex preparation crystal mol structure. We’ll tell you more about this compound (cas:15227-42-6).

The reaction between trans-[AuF2(pyridine)2]+ and [PhI(pyridine)2]2+ results in the formation of PhIF2 and [Au(pyridine)4]3+. Investigation of the reaction pathway using model Pd and Pt analogs of the gold complex indicate the most likely mechanism is attack by the Au-F onto the I(III), rather than a redox process. This demonstrates that the Au(III)-F fragment can behave in a nucleophilic manner even in a relatively electron poor cationic complex.

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Reference:
Tetrahydroisoquinoline – Wikipedia,
1,2,3,4-Tetrahydroisoquinoline | C9H11N – PubChem