Month: April 2022

Category: esters-buliding-blocks. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), is researched, Molecular C6H12N2O4Pt, CAS is 41575-94-4, about Co-clinical FDG-PET radiomic signature in predicting response to neoadjuvant chemotherapy in triple-negative breast cancer. Author is Roy, Sudipta; Whitehead, Timothy D.; Li, Shunqiang; Ademuyiwa, Foluso O.; Wahl, Richard L.; Dehdashti, Farrokh; Shoghi, Kooresh I..

We sought to exploit the heterogeneity afforded by patient-derived tumor xenografts (PDX) to first, optimize and identify robust radiomic features to predict response to therapy in subtype-matched triple neg. breast cancer (TNBC) PDX, and second, to implement PDX-optimized image features in a TNBC co-clin. study to predict response to therapy using machine learning (ML) algorithms. TNBC patients and subtype-matched PDX were recruited into a co-clin. FDG-PET imaging trial to predict response to therapy. One hundred thirty-one imaging features were extracted from PDX and human-segmented tumors. Robust image features were identified based on reproducibility, cross-correlation, and volume independence. A rank importance of predictors using ReliefF was used to identify predictive radiomic features in the preclin. PDX trial in conjunction with ML algorithms: classification and regression tree (CART), Naive Bayes (NB), and support vector machines (SVM). The top four PDX-optimized image features, defined as radiomic signatures (RadSig), from each task were then used to predict or assess response to therapy. Performance of RadSig in predicting/assessing response was compared to SUVmean, SUVmax, and lean body mass-normalized SULpeak measures. Sixty-four out of 131 preclin. imaging features were identified as robust. NB-RadSig performed highest in predicting and assessing response to therapy in the preclin. PDX trial. In the clin. study, the performance of SVM-RadSig and NB-RadSig to predict and assess response was practically identical and superior to SUVmean, SUVmax, and SULpeak measures. We optimized robust FDG-PET radiomic signatures (RadSig) to predict and assess response to therapy in the context of a co-clin. imaging trial.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 6-Bromo-8-methylquinoline(SMILESS: CC1=CC(Br)=CC2=C1N=CC=C2,cas:178396-31-1) is researched.Electric Literature of C11H23Br. The article 《Rhodium(III)-Catalyzed Intermolecular Amidation with Azides via C(sp3)-H Functionalization》 in relation to this compound, is published in Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:178396-31-1).

The amidation reactions of 8-methylquinolines with azides catalyzed by a cationic rhodium(III) complex proceed efficiently to give quinolin-8-ylmethanamine derivatives in good yields via C(sp3)-H bond activation under external oxidant-free conditions. A catalytically competent five-membered rhodacycle has been isolated and characterized, revealing a key intermediate in the catalytic cycle.

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Ester – Wikipedia,
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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: (11bR)-2,6-Bis(3,5-dimethylphenyl)-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepine 4-oxide, is researched, Molecular C36H29O4P, CAS is 861909-53-7, about Direct Interconversion of BINOL and H8-BINOL-Based Chiral Bronsted Acids Using Single-Step Red/Ox Manipulations, the main research direction is chiral binol phosphoric acid hydrogen hydrogenation; octahydrogenated binol phosphoric acid preparation; DDQ octahydrogenated binol chiral phosphoric acid oxidation; binol phosphoric acid preparation.SDS of cas: 861909-53-7.

A direct single-step hydrogenation of BINOL-based chiral phosphoric acids, N-triflyl phosphoramides, and disulfonimides to the corresponding H8-BINOL Bronsted acids in excellent yields and chemoselectivities is described. In addition, the conditions for the single-step oxidation of H8-BINOL-based Bronsted acids into the corresponding BINOL-based acids have been identified and employed to accomplish these interconversions in 41-81% yield.

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Ester – Wikipedia,
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Application of 178396-31-1. 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: 6-Bromo-8-methylquinoline, is researched, Molecular C10H8BrN, CAS is 178396-31-1, about Cobalt(III)/Rhodium(III)-Catalyzed Regio- and Stereoselective Allylation of 8-methylquinoline via sp3 C-H Activation.

Regio- and stereoselective benzylic allylation of 8-methylquinolines with (per)fluoroalkyl olefins was realized via benzylic C-H activation and subsequent C-F cleavage. Both cobalt(III) and rhodium(III) catalysts can effect this transformation in good to high efficiency. The Rh(III)-catalyzed system proceeded under moderate conditions with decent substrates scope, providing (Z)-alkenyl fluorides with good to excellent regio- and stereoselectivity.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Related Products of 41575-94-4. 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: cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), is researched, Molecular C6H12N2O4Pt, CAS is 41575-94-4, about Pathological complete response following cisplatin or carboplatin-based neoadjuvant chemotherapy for triple-negative breast cancer: a systematic review and meta-analysis. Author is Vidra, Radu; Nemes, Adina; Vidrean, Andreea; Pintea, Sebastian; Tintari, Snejeana; Deac, Andrada; Ciuleanu, Tudor.

Meta-anal. of the addition of platinum compounds to standard neoadjuvant chemotherapy (NACT) for triple-neg. breast cancer (TNBC) is highly controversial. Platinum agents, such as cisplatin and carboplatin, are DNA-damaging agents which exhibit activity in breast cancer, particularly in the TNBC subgroup. In order to assess the efficacy of each most representative platinum agent (cisplatin and carboplatin) in patients with TNBC treated with NACT, the present study performed a systematic review and meta-anal. of all available published studies on TNBC. A search of PubMed was performed to identify studies that investigated platinum-based NACT in patients with TNBC. The primary endpoints were the pooled rate of the pathol. complete response (pCR) between cisplatin vs. carboplatin-based NACT. A total of 24 studies were selected (17 studies for carboplatin and 6 studies for cisplatin and 1 study with both carboplatin and cisplatin, with 20 prospective studies) for the anal. of 1,711 patients with TNBC. Overall, the pooled rate of pCR in patients treated with platinum-based NACT was 48%. No significant differences were observed between the rates of pCR obtained under carboplatin vs cisplatin treatment. The carboplatin pCR rate was 0.470 [95% confidence interval (CI), 0.401-0.539], while the cisplatin pCR rate was 0.473 (95% CI, 0.379-0.568). The comparison between these two categories revealed no significant differences (P=0.959). In the whole, the present study demonstrates that neoadjuvant platinum-based chemotherapy improves the pCR rate in patients with TNBC, regardless of the platinum agent used. Carboplatin may thus represent a viable option due to its more favorable toxicity profile.

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

Safety of (11bR)-N,N-Bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine. Aromatic compounds can be divided into two categories: single heterocycles and fused 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 Palladium-Catalyzed Enantioselective Heteroarenyne Cycloisomerization Reaction. Author is Liang, Ren-Xiao; Song, Ling-Jie; Lu, Jin-Bo; Xu, Wei-Yan; Ding, Chao; Jia, Yi-Xia.

The extensively developed ene-type enantioselective cycloisomerization of classical 1,n-enynes provides an efficient approach to chiral cyclic 1,4-dienes. In contrast, the catalytic asym. heteroarenyne (heteroarene-alkyne) cycloisomerization involving the dearomative transformation of endocyclic aromatic C=C bonds remains unknown. Herein, we communicate a PdH-catalyzed enantioselective heteroarenyne cycloisomerization reaction of alkyne-tethered indole substrates (formal 1,5- and 1,6-enynes). Based on this strategy, a variety of structurally diverse chiral spiro and fused indoline derivatives bearing quaternary stereocenters and exocyclic C=C bonds are afforded in moderate to excellent yields and excellent enantioselectivities (up to 98% ee). The classical ene-type enantioselective 1,5-enyne cycloisomerization of N-vinylpropiolamides is also developed to afford chiral 2-pyrrolones in good to excellent ee values.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Cotton, F. Albert; Harris, Charles Bonner; Wise, John J. published an article about the compound: Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II)( cas:14481-08-4,SMILESS:CC(C)(C1=O[Ni+2]2(O=C(C(C)(C)C)[CH-]1)O=C([CH-]C(C(C)(C)C)=O2)C(C)(C)C)C ).Product Details of 14481-08-4. 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:14481-08-4) through the article.

Extended Hueckel-type M.O. calculations were carried out on bis(β-ketoenolate) complexes of Cu(II) and Ni(II), taking these as planar mols. of D2h symmetry, with the ring substituents as H atoms (to limit the size of the basis set of at. orbitals). The Wolfsberg-Helmholz approximation was used to estimate off-diagonal matrix elements. The diagonal matrix elements for the metal orbitals were estimated by the Ros procedure in which valence state ionization potentials are corrected (substantially) for the influence of the ligand atoms. The coefficient of the dxy orbital in 1 of the M.O.’s was constrained to have a value similar to that indicated by E.S.R. data by adjustment of the Hii terms of the O atoms. The results of the calculation are in good agreement with E.S.R. data and the visible spectra and are useful in interpreting uv spectra. 28 references.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Electric Literature of C6H12N2O4Pt. 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: cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), is researched, Molecular C6H12N2O4Pt, CAS is 41575-94-4, about Differences in the Therapeutic Effect of Chemotherapy Regimens for Concurrent Chemoradiotherapy of Locally Advanced Non-small Cell Lung Cancer.. Author is Horiuchi, Minoru; Oguri, Tetsuya; Kagawa, Yusuke; Sone, Kazuki; Fukuda, Satoshi; Uemura, Takehiro; Takakuwa, Osamu; Maeno, Ken; Fukumitsu, Kennsuke; Kanemitsu, Yoshihiro; Tajiri, Tomoko; Ohkubo, Hirotsugu; Takemura, Masaya; Ito, Yutaka; Niimi, Akio.

BACKGROUND/AIM: The optimal chemotherapy for concurrent chemoradiotherapy (cCRT) of lung cancer is still unclear. PATIENTS AND METHODS: We investigated the therapeutic effect of different chemotherapy regimens for cCRT of lung cancer in 65 patients at our hospital. RESULTS: Of the 65 patients, 53 were male and 12 female. The median age was 64 years and 58 participants had a smoking history. The histological type was adenocarcinoma in 34 cases, squamous cell carcinoma in 22 cases, and others in 9 cases. Induction therapy consisted of cisplatin plus vinorelbine (CDDP+VNR) in 50 cases, and weekly carboplatin plus paclitaxel (CBDCA+PTX) in 15 cases. In all patients, the overall response rate, disease control rate, median progression survival, and median overall survival were 78.5%, 95.4%, 337 days, and 1,037 days, respectively. The median progression-free survival was 337 days in total; it was significantly longer for CDDP+VNR than CBDCA+PTX. The median overall survival was 1,037 days in total; it tended to be slightly longer for CDDP+VNR than CBDCA+PTX. CONCLUSION: Different chemotherapy regimens for cCRT possibly have different therapeutic effects.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Formula: C36H30NO2P. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. 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 Unprecedented catalytic enantioselective trapping of arene oxides with dialkylzinc reagents. Author is Bertozzi, Fabio; Crotti, Paolo; Del Moro, Federica; Feringa, Ben L.; Macchia, Franco; Pineschi, Mauro.

The first catalytic enantioselective trapping of sym. and racemic arene oxides with organometallic reagents is reported. Benzene oxide (7-oxabicyclo[4.1.0]hepta-2,4-diene) is in equilibrium with oxepin. Catalyst system included copper ditriflate and (11bR)-N,N-bis[(1R)-1-phenylethyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin-4-amine. Thus, the reaction of 7-oxabicyclo[4.1.0]hepta-2,4-diene with dimethylzinc gave (1S,6S)-6-methyl-2,4-cyclohexadien-1-ol in 93% enantiomeric excess and 4-methyl-2,5-cyclohexadien-1-ol. Reactions of 2,3-dihydro-3a,7a-epoxy-1H-indene and 1a,7b-dihydronaphth[1,2-b]oxirene were also investigated.

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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: 6-Bromo-8-methylquinoline( cas:178396-31-1 ) is researched.Application of 178396-31-1.Chen, Lijin; Zhou, Zhenfei; Zhang, Saifei; Li, Xiaoqian; Ma, Xuebing; Dong, Jiaxing published the article 《Palladium(II)-catalyzed oxidative C(sp3)-P bond formation via C(sp3)-H bond activation》 about this compound( cas:178396-31-1 ) in Chemical Communications (Cambridge, United Kingdom). Keywords: quinoline phosphonate phosphinate phosphine oxide preparation CH activation copuling; oxidative coupling secondary phosphinyl compound methylquinoline preparation phosphonate phosphinate. Let’s learn more about this compound (cas:178396-31-1).

8-Methylquinolines undergo side-chain C-H-activation and phosphinylation in palladium-catalyzed oxidative coupling with secondary phosphinyl compounds, phosphonates, phosphinates and phosphine oxides X2P(O)H, forming the corresponding 8-phosphinylmethylquinolines 8-X2P(O)CH2[C9H6-nN]Rn (X = alkoxy, aryl; R = H, halo, Me, aryl, NO2, alkenyl, alkynyl). Disclosed herein is a Pd(II)-catalyzed C(sp3)-H/P-H oxidative cross-coupling reaction between 8-methylquinolines with H-phosphonates or diarylphosphine oxides via chelation-assisted C(sp3)-H bond activation. The protocol exhibits a relatively broad functional-group tolerance and exclusive chemo- and regioselectivity. Furthermore, detailed mechanistic studies support the proposed reaction pathway.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics