Month: April 2022

Recommanded Product: Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II). 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: Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II), is researched, Molecular C22H38NiO4, CAS is 14481-08-4, about Gas-phase electron attachment to metal complexes. The influence of oxygen and sulfur donor atoms on the electron attachment reactions of bis-chelates of nickel(II). Author is Garnett, J. L.; Gregor, I. K.; Guilhaus, M.; Dakternieks, D. R..

Study on the effects of O and S donor atoms on the electron-attachment reactions of a number of bis-chelates of Ni (II) with β-diketones and their mono- and dithio analogs by neg.-ion mass spectrometry indicated that high yields of mol. neg. ions can be obtained by low-energy electron attachment, and a greater ease of reduction occurs as the number of S atoms bonded to Ni increases. Neg. ions from ion-mol. reactions are also presented.

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Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sellami, S.; Bourbonne, V.; Hatt, M.; Tixier, F.; Bouzid, D.; Lucia, F.; Pradier, O.; Goasduff, G.; Visvikis, D.; Schick, U. published the article 《Predicting response to radiotherapy of head and neck squamous cell carcinoma using radiomics from cone-beam CT images》. Keywords: head and neck squamous cell carcinoma radiotherapy radiomics human; CBCT; head and neck cancers; radiomics; radiotherapy; texture.They researched the compound: cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)( cas:41575-94-4 ).SDS of cas: 41575-94-4. 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:41575-94-4) here.

Radiotherapy (RT) for head and neck cancer is now guided by cone-beam computed tomog. (CBCT). We aim to identify a CBCT radiomic signature predictive of progression to RT. A cohort of 93 patients was split into training (n = 60) and testing (n = 33) sets. A total of 88 features were extracted from the gross tumor volume (GTV) on each CBCT. Receiver operating characteristic (ROC) curves were used to determine the power of each feature at each week of treatment to predict progression to radio(chemo)therapy. Only features with AUC > 0.65 at each week were pre-selected. Absolute differences were calculated between features from each weekly CBCT and baseline CBCT1 images. The smallest detectable change (C = 1.96 x SD, SD being the standard deviation of differences between feature values calculated on CBCT1 and CBCTn) with its confidence interval (95% confidence interval [CI]) was determined for each feature. The features for which the change was larger than C for at least 5% of patients were then selected. A radiomics-based model was built at the time-point that showed the highest AUC and compared with models relying on clin. variables. Seven features had an AUC > 0.65 at each week, and six exhibited a change larger than the predefined CI 95%. After exclusion of inter-correlated features, only one parameter remains, Coarseness. Among clin. variable, only Hb value was significant. AUC for predicting the treatment response were 0.78 (p = .006), 0.85 (p < .001), and 0.99 (p < .001) for clin., CBCT4-radiomics (Coarseness) and clin. + radiomics based models resp. The mean AUC of this last model on a 5-fold cross-validation was 0.80 (±0.09). On the testing cohort, the best prediction was given by the combined model (balanced accuracy [BAcc] 0.67 , p < .001). We described a feature selection methodol. for delta-radiomics that is able to select reproducible features which are informative due to their change during treatment. A selected delta radiomics feature may improve clin.-based prediction models. Compound(41575-94-4)SDS of cas: 41575-94-4 received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)), if you are interested, you can check out my other related articles.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Recommanded Product: 6-Bromo-8-methylquinoline. 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: 6-Bromo-8-methylquinoline, is researched, Molecular C10H8BrN, CAS is 178396-31-1, about Cobalt-catalyzed ring-opening addition of azabenzonorbornadienes via C(sp3)-H bond activation of 8-methylquinoline. Author is Tan, Heng; Khan, Ruhima; Xu, Dandan; Zhou, Yongyun; Zhang, Xuexin; Shi, Guangrui; Fan, Baomin.

The first ring-opening addition of a benzylic C(sp3)-H bond to azabenzonorbornadienes is demonstrated. The reaction proceeded under the catalytic system of [Cp*CoI2(CO)], AgSbF6 and Fe(OAc)2 in PhOMe. The methodol. showed a good substrate scope with up to 96% yield. The relative configuration of the product was determined as cis-configuration by X-ray crystallog.

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Ester – Wikipedia,
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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: 2-Chloro-3,4-diiodopyridine, is researched, Molecular C5H2ClI2N, CAS is 153034-91-4, about First metalation of aryl iodides: directed ortho-lithiation of iodopyridines, halogen-dance, and application to synthesis.Safety of 2-Chloro-3,4-diiodopyridine.

Metalation of iodopyridines was successfully achieved by LDA at low temperature In many cases, lithiation is ortho directed by the iodo group which subsequently ortho-migrates very fast to give stabilized iodolithiopyridines. This procedure was applied to 2-fluoro- and 2-chloro-3-iodopyridines, 3-fluoro-4-iodopyridine, and 2-chloro-3-fluoro-4-iodopyridine. The resulting lithio intermediates were obtained in high yields before being reacted with electrophiles leading to various polysubstituted pyridines. Some of these iodopyridines were used as key mols. for the preparation of fused polyaromatic alkaloids. Thus, perlolidine (I), δ-carbolines, and 2,10-diazaphenanthrenes were readily prepared in few steps taking advantage of the iodo reactivity for heteroring cross-coupling. Coupling of [2-(pivaloylamino)phenyl]boronic acid with 2-fluoro-4-iodo-3-pyridinecarboxaldehyde gave I.

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Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II)( cas:41575-94-4 ) is researched.Electric Literature of C6H12N2O4Pt.Zhang, Liulu; Wu, Zhi-Yong; Li, Jie; Lin, Ying; Liu, Zhenzhen; Cao, Yin; Zhang, Gangling; Gao, Hong-Fei; Yang, Mei; Yang, Ci-Qiu; Zhu, Teng; Cheng, Min-Yi; Ji, Fei; Li, Jieqing; Wang, Kun published the article 《Neoadjuvant docetaxel plus carboplatin vs epirubicin plus cyclophosphamide followed by docetaxel in triple-negative , early-stage breast cancer ( NeoCART ): Results from a multicenter, randomized controlled, open-label phase II trial》 about this compound( cas:41575-94-4 ) in International Journal of Cancer. Keywords: docetaxel carboplatin epirubicin cyclophosphamide triple neg breast cancer; phase II trial; carboplatin; neoadjuvant chemotherapy; triple-negative breast cancer. Let’s learn more about this compound (cas:41575-94-4).

Previous studies have shown that the addition of carboplatin to neoadjuvant chemotherapy improved the pathol. complete response (pCR) rate in patients suffering from triple-neg. breast cancer (TNBC) and patients who obtained a pCR could achieve prolonged event-free survival (EFS) and overall survival (OS). However, no studies have assessed the effects of the combination of docetaxel and carboplatin without anthracycline with taxane-based and anthracycline-based regimens. The NeoCART study was designed as a multicenter, randomized controlled, open-label, phase II trial to assess the efficacy and safety of docetaxel combined with carboplatin in untreated stage II-III TNBC. All eligible patients were randomly assigned, at a 1:1 ratio, to an exptl. docetaxel plus carboplatin (DCb) for six cycles group (DCb group) or an epirubicin plus cyclophosphamide for four cycles followed by docetaxel for four cycles group (EC-D group). PCR (ypT0/is ypN0) was evaluated as the primary outcome. Between 1 Sept. 2016 and 31 Dec. 2019, 93 patients were randomly assigned and 88 patients were evaluated for the primary endpoint (44 patients in each group). In the primary endpoint anal., 27 patients in the DCb group (61.4%, 95% CI 47.0-75.8) and 17 patients in the EC-D group achieved a pCR (38.6%, 95% CI 24.3-53.0; odds ratio 2.52, 95% CI 2.4-43.1; Pnoninferiority = .004). Noninferiority was met, and the DCb regimen was confirmed to be superior to the EC-D regimen (P = .044, superiority margin of 5%). At the end of the 37-mo median follow-up period, OS and EFS rates were equivalent in both groups.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Computed Properties of C10H8BrN. 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: 6-Bromo-8-methylquinoline, is researched, Molecular C10H8BrN, CAS is 178396-31-1, about Palladium-Catalyzed sp3 C-H Nitration of 8-Methylquinolines. Author is Zhang, Wei; Ren, Shaobo; Zhang, Jian; Liu, Yunkui.

Palladium-catalyzed nitration of 8-methylquinolines with t-BuONO to give 8-(nitromethyl)quinolines I [R1 = H, 6-Cl, 5-Me, etc; R2 = H, 3-Ph.] in moderate to excellent yields has been developed involving an sp3 C-H bond activation. The resulting (nitromethyl)quinolines could be selectively reduced to (1,2,3,4-tetrahydroquinolin-8-yl)methanamines by NaBH4 in the presence of a catalytic amount of NiCl2·6H2O.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Category: esters-buliding-blocks. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: (11bR)-N,N-Bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine, is researched, Molecular C36H30NO2P, CAS is 415918-91-1, about Methyl-monofluorination of ibuprofen selectively increases its inhibitory activity toward cyclooxygenase-1 leading to enhanced analgesic activity and reduced gastric damage in vivo. Author is Su, Hong; Xie, Yuli; Liu, Wen-Bo; You, Shu-Li.

Newly developed monofluoromethylation reaction provided access to various bioactive mols. with an interesting monofluoromethyl unit. An iridium-catalyzed asym. version was employed for large-scale methyl-monofluorination of widely used nonsteroidal anti-inflammatory drug ibuprofen (the active S isoform). The methyl-monofluorinated ibuprofen was found to selectively inhibit cyclooxygenase-1 over cyclooxygenase-2 and surprisingly, the compound, with almost equal pharmacokinetic profile, was shown to increase analgesic activity and diminish gastric damage in animal models comparing to the parent drug ibuprofen. Therefore, methyl-monofluorination could be a useful strategy for improving efficacy and safety profile of drugs from the ‘profen’ family.

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Ester – Wikipedia,
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Synthetic Route of C13H19ClN2O. 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: (R)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride, is researched, Molecular C13H19ClN2O, CAS is 323196-43-6, about One-pot organocatalytic domino Michael/α-alkylation reactions: direct catalytic enantioselective cyclopropanation and cyclopentanation reactions. Author is Ibrahem, Ismail; Zhao, Gui-Ling; Rios, Ramon; Vesely, Jan; Sunden, Henrik; Dziedzic, Pawel; Cordova, Armando.

The development of one-pot organocatalytic domino Michael/α-alkylation reactions between bromomalonates or bromoacetoacetate esters and α,β-unsaturated aldehydes is presented. The chiral-amine-catalyzed reactions with bromomalonates as substrates give access to the corresponding 2-formylcyclopropane derivatives in high yields with excellent diastereoselectivity and up to 99% ee. The catalytic domino Michael/α-alkylation reactions between 4-bromo-acetoacetate and enals provide a route for the synthesis of functionalized cyclopentanones in good to high yields with 93-99% ee. The products from the organocatalytic reactions were also reduced with high diastereoselectivity to the corresponding cyclopropanols and cyclopentanols, resp. Moreover, one-pot combinations of amine and heterocyclic carbene catalysis (AHCC) enabled the highly enantioselective synthesis of β-malonate esters (91-97% ee) from the reaction between bromomalonates and enals. The tandem catalysis included the catalytic domino reaction followed by catalytic in situ chemoselective ring-opening of the 2-formylcyclopropane intermediates.

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Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Application of 14481-08-4. 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: Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II), is researched, Molecular C22H38NiO4, CAS is 14481-08-4, about Application of the angular overlap model to the interpretation of the electronic spectra of copper(II) and nickel(II) acetylacetonate complexes. Author is Hitchman, M. A..

σ- And π-bonding parameters were calculated by the angular overlap model for CuL2 nLH = MeCOCH2COMe, MeCOCH2COPh, MeCOCHPnCOMe) and Ni(Me3CCOCHCOCMe3) (I). The results suggested the orbital sequence dxy ≫ dz2 > dx2-y2 > dxz ∼ dyz for the Cu complexes but dxy ≫ dx2-y2 > dz2 > dxz ∼ dyzfor I due to stronger metal-ligand interaction. The parameters estimated for I were used to predict d-orbital splittings for [NiL2]3, NiL2.2H2O, and NiL2.py2 (LH = MeCOCH2COMe).

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Reference:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 41575-94-4, is researched, SMILESS is O=C1C2(CCC2)C(O[Pt]O1)=O.N.N, Molecular C6H12N2O4PtJournal, Clinical Trial, Phase II, Article, Randomized Controlled Trial, Breast Cancer Research and Treatment called Updated efficacy of adjuvant epirubicin plus cyclophosphamide followed by taxanes versus carboplatin plus taxanes in early triple-negative breast cancer in phase 2 trial: 8.1-year median follow-up, Author is Zheng, Fangchao; Du, Feng; Wang, Wenmiao; Wang, Yongsheng; Li, Ming; Zhao, Jiuda; Wang, Xue; Yue, Jian; Wang, Jiayu; Yang, Zixuan; Cai, Ruigang; Ma, Fei; Fan, Ying; Li, Qing; Zhang, Pin; Xu, Binghe; Yuan, Peng, the main research direction is BRCA; ECT regimen; SPARC; TP regimen; Triple-negative breast cancer.Reference of cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II).

Abstract: Background: Paclitaxel/docetaxel after doxorubicin plus cyclophosphamide (ECT) is considered as an adjuvant chemotherapy and improves the survival of early triple-neg. breast cancer (TNBC) patients. We aim to assess whether carboplatin plus taxanes (TP) is non-inferior to ECT in prolonging the survival time. Methods: TNBC patients were randomized (1:1) to receive ECT (90 mg/m2 epirubicin + 600 mg/m2 cyclophosphamide followed by 75 mg/m2 docetaxel or 175 mg/m2 paclitaxel every 3 wk, n = 154) or TP (75 mg/m2 docetaxel or 175 mg/m2 paclitaxel + carboplatin AUC 5 every 3 wk, n = 154). These expression of SPARC, PD-L1, and BRCA were studied. Patients were followed up for disease-free survival (DFS), overall survival (OS), and safety. Results: We recruited 308 TNBC patients (median follow-up of 97.6 mo). The median DFS and OS were not reached; the 8-yr DFS rate of ECT and TP arms was 78.4% and 81.7%, resp., while the 8-yr OS rate were 87.2% and 89.1%, resp. In the SPARC (> 50%) subgroup anal., the TP arm had longer DFS (P = 0.049) and a tendency with better OS (P = 0.06) than ECT arm. No significant differences were observed in the DFS and OS between the ECT arm and TP arm in TNBC with SPARC (≤ 50%), PD-L1 (-) PD-L1 (+), and BRCA mutation or BRCA wild (all P values > 0.05). Conclusion: TP showed non-inferiority for DFS and OS compared with ECT in early TNBC. TP may be an effective alternative chemotherapy for TNBC patients whom the standard ECT regimen is not being used. Trail Registration: ClinicalTrials.gov identifier NCT01150513

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics