Category: 3395-91-3

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.Greed, Stephanie; Briggs, Edward L.; Idiris, Fahima I. M.; White, Andrew J. P.; Luecking, Ulrich; Bull, James A. researched the compound: Methyl 3-bromopropanoate( cas:3395-91-3 ).HPLC of Formula: 3395-91-3.They published the article 《Synthesis of Highly Enantioenriched Sulfonimidoyl Fluorides and Sulfonimidamides by Stereospecific Sulfur-Fluorine Exchange (SuFEx) Reaction》 about this compound( cas:3395-91-3 ) in Chemistry – A European Journal. Keywords: enantioenriched sulfonimidoyl fluoride sulfonimidamide preparation stereospecific SuFEx; SuFEx reactions; chirality; sulfonimidamides; sulfur; synthetic methods. We’ll tell you more about this compound (cas:3395-91-3).

Sulfonimidamides present exciting opportunities as chiral isosteres of sulfonamides, with potential for addnl. directional interactions. Here the authors present the first modular enantioselective synthesis of sulfonimidamides, including the first stereoselective synthesis of enantioenriched sulfonimidoyl fluorides, and studies on their reactivity. A new route to sulfonimidoyl fluorides is presented from solid bench-stable, N-Boc-sulfinamide salt building blocks. Enantioenriched arylsulfonimidoyl fluorides are shown to be readily racemized by fluoride ions. Conditions are developed, which trap fluoride and enable the stereospecific reaction of sulfonimidoyl fluorides with primary and secondary amines (100% es) generating sulfonimidamides with up to 99% ee. Aryl and alkyl sulfonimidoyl fluoride reagents are suitable for mild late stage functionalization reactions, exemplified by coupling with a selection of complex amines in marketed drugs.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Application of 3395-91-3. 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: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Understanding the Effect of the Electron Spin Relaxation on the Relaxivities of Mn(II) Complexes with Triazacyclononane Derivatives.

Investigating the relaxation of water 1H nuclei induced by paramagnetic Mn(II) complexes is important to understand the mechanisms that control the efficiency of contrast agents used in diagnostic magnetic resonance imaging (MRI). Herein, a series of potentially hexadentate triazacyclononane (TACN) derivatives containing different pendant arms were designed to explore the relaxation of the electron spin in the corresponding Mn(II) complexes using a combination of 1H NMR relaxometry and theor. calculations These ligands include 1,4,7-triazacyclononane-1,4,7-triacetic acid (H3NOTA) and three derivatives in which an acetate group is replaced by sulfonamide (H3NO2ASAm), amide (H2NO2AM) or pyridyl (H2NO2APy) pendants, resp. The analog of H3NOTA containing three propionate pendant arms (H3NOTPrA) was also investigated. The x-ray structure of the derivative containing two acetate groups and a sulfonamide pendant arm [Mn(NO2ASAm)]- evidenced six-coordination of the ligand to the metal ion, with the coordination polyhedron being close to a trigonal prism. The relaxivities of all complexes at 20 MHz and 25° (1.1-1.3 mM-1 s-1) are typical of systems that lack water mols. coordinated to the metal ion. The nuclear magnetic relaxation profiles evidence significant differences in the relaxivities of the complexes at low fields (<1 MHz), which are associated with different spin relaxation rates. The zero field splitting (ZFS) parameters calculated using DFT and CASSCF methods show that electronic relaxation is relatively insensitive to the nature of the donor atoms. However, the twist angle of the two tripodal faces that delineate the coordination polyhedron, defined by the N atoms of the TACN unit (lower face) and the donor atoms of the pendant arms (upper face), has an important effect in the ZFS parameters. A twist angle close to the ideal value for an octahedral coordination (60°), such as that in [Mn(NOTPrA)]-, leads to a small ZFS energy, whereas this value increases as the coordination polyhedron approaches to a trigonal prism. There is still a lot of research devoted to this compound(SMILES：O=C(OC)CCBr)Application of 3395-91-3, and with the development of science, more effects of this compound(3395-91-3) can be discovered.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Organic Letters called Directed Nickel-Catalyzed Diastereoselective Reductive Difunctionalization of Alkenyl Amines, Author is Zhao, Lei; Meng, Xiao; Zou, Yifeng; Zhao, Junsong; Wang, Lili; Zhang, Lanlan; Wang, Chao, which mentions a compound: 3395-91-3, SMILESS is O=C(OC)CCBr, Molecular C4H7BrO2, Electric Literature of C4H7BrO2.

We report herein an intermol. syn-arylalkylation and alkenylalkylation of alkenyl amines with two different organohalides (iodides and bromides) using Ni(II) catalyst. The cleavable bidentate quinolinamide was utilized after extensive directing group screening to enable olefin difunctionalization with high levels of regio-, chemo-, and diastereocontrol. This general and practical protocol was compatible with α- or β-substituted terminal alkenes and internal alkenes, providing rapid access to branched aliphatic amines bearing two skipped and vicinal stereocenters with high diastereoselectivities that would otherwise be difficult to synthesize.

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Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Rational Design of a Multifunctional Molecular Dye with Single Dose and Laser for Efficiency NIR-II Fluorescence/Photoacoustic Imaging Guided Photothermal Therapy, the main research direction is preparation multifunctional dye fluorescence photoacoustic imaging photothermal therapy.Name: Methyl 3-bromopropanoate.

Multifunctional probes integrating accurate multi-diagnosis and efficient therapy hold great prospect in biomedical research. However, the sophisticated construction and difficulties in matching the ratios of doses and laser triggers of probes for each modality imaging and therapy are still hindered the extensive practice of multifunctional probes in biomedicine. We herein rational designed an organic dye SY1080 with intrinsic multifunction by both introducing 3,4-ethylenedioxy thiophene (EDOT) and the selenium containing acceptor unit into the backbone to balance the fluorescence brightness and emission wavelength. Under single dose and 808 nm laser irradiation conditions, SY1080 not only carried out NIR-II fluorescence/Photoacoustic imaging of real-time and noninvasive tumor delineation with excellent contrast, but also effectively ablated tumors with laser irradiation to perform PTT under the guidance of dual-modal imaging. These exciting results highlighted SY1080 as a multifunctional and universal phototheranostic platform for potential applications.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Recommanded Product: Methyl 3-bromopropanoate. 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: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Melanin-dot-mediated delivery of metallacycle for NIR-II/photoacoustic dual-modal imaging-guided chemo-photothermal synergistic therapy. Author is Sun, Yue; Ding, Feng; Chen, Zhao; Zhang, Ruiping; Li, Chonglu; Xu, Yuling; Zhang, Yi; Ni, Ruidong; Li, Xiaopeng; Yang, Guangfu; Sun, Yao; Stang, Peter J..

Discrete Pt(II) metallacycles have potential applications in biomedicine. Herein, we engineered a dual-modal imaging and chemo-photothermal therapeutic nano-agent 1 that incorporates discrete Pt(II) metallacycle 2 and fluorescent dye 3 (emission wavelength in the second near-IR channel [NIR-II]) into multifunctional melanin dots with photoacoustic signal and photothermal features. Nano-agent 1 has a good solubility, biocompatibility, and stability in vivo. Both photoacoustic imaging and NIR-II imaging in vivo confirmed that 1 can effectively accumulate at tumor sites with good signal-to-background ratio and favorable distribution. Guided by precise dual-modal imaging, nano-agent 1 exhibits a superior antitumor performance and less severe side effects compared with a single treatment because of the high efficiency of the chemo-photothermal synergistic therapy. This study shows that nano-agent 1 provides a promising multifunctional theranostic platform for potential applications in biomedicine.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Peng, Xiaopeng; Chen, Jingxuan; Li, Ling; Sun, Zhiqiang; Liu, Jin; Ren, Yichang; Huang, Junli; Chen, Jianjun published an article about the compound: Methyl 3-bromopropanoate( cas:3395-91-3,SMILESS:O=C(OC)CCBr ).Product Details of 3395-91-3. 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:3395-91-3) through the article.

Novel dual HDAC3/tubulin inhibitors were designed and efficiently synthesized by combining the pharmacophores of SMART (tubulin inhibitor) and MS-275 (HDAC inhibitor), among which compound 15c was found to be the most potent and balanced HDAC3/tubulin dual inhibitor with high HDAC3 activity (IC50 = 30 nM) and selectivity (SI > 1000) as well as excellent antiproliferative potency against various cancer cell lines, including an HDAC-resistant gastric cancer cell line (YCC3/7) with IC50 values in the range of 30-144 nM. Compound 15c inhibited B16-F10 cancer cell migration and colony formation. In addition, 15c demonstrated significant in vivo antitumor efficacy in a B16-F10 melanoma tumor model with a better TGI (70.00%, 10 mg/kg) than that of the combination of MS-275 and SMART. Finally, 15c presented a safe cardiotoxicity profile and did not cause nephro-/hepatotoxicity. Collectively, this work shows that compound 15c represents a novel tubulin/HDAC3 dual-targeting agent deserving further investigation as a potential anticancer agent.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Methyl 3-bromopropanoate( cas:3395-91-3 ) is researched.Related Products of 3395-91-3.Zhu, Haichao; Liu, Meihua; Li, Haiyan; Guan, Ting; Zhang, Qi; Chen, Yang; Liu, Yingxiang; Hartmann, Rolf R.; Yin, Lina; Hu, Qingzhong published the article 《Design, synthesis and biological evaluation of pyridyl substituted benzoxazepinones as potent and selective inhibitors of aldosterone synthase》 about this compound( cas:3395-91-3 ) in Chinese Chemical Letters. Keywords: pyridyl benzoxazepinone preparation aldosterone synthase inhibitor mol docking. Let’s learn more about this compound (cas:3395-91-3).

Exorbitant aldosterone is closely associated with various severe diseases, including congestive heart failure and chronic kidney disease. As aldosterone synthase is the pivotal enzyme in aldosterone biosynthesis, its inhibition constitutes a promising treatment for these diseases. Via a structure-based approach, a series of pyridyl substituted 3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-ones I (R = dimethylaminyl, F, pyrrolidin-1-yl, etc.; R1 = 4-methylpyridin-3-yl, 5-(trifluoromethyl)pyridin-3-yl, 5-fluoropyridin-3-yl, etc.) were designed as inhibitors of aldosterone synthase. Six compounds I (R = dimethylaminyl, R1 = 5-methylpyridin-3-yl; R1 = R = dimethylaminyl, 4-methylpyridin-3-yl; R = dimethylaminyl, R1 = 5-methoxypyridin-3-yl; R1 = 4-methylpyridin-3-yl, R = morpholin-4-yl; R1 = 4-methylpyridin-3-yl, R = piperazin-1-yl (II); R1 = 4-methylpyridin-3-yl, R = 4-methylpiperazin-1-yl) distinguished themselves with potent inhibition (IC50 <100 nmol/L) and high selectivity over homogenous 11β-hydroxylase. As the most promising compound, (II) exhibited an IC50 of 12 nmol/L and an excellent selectivity factor (SF) of 157, which are both superior to those of the reference fadrazole (IC50 = 21 nmol/L, SF = 7). Importantly, (II) showed no inhibition against steroidogenic CYP17, CYP19 and a panel of hepatic CYP enzymes indicating an outstanding safety profile. As it manifested satisfactory pharmacokinetic properties in rats, compound (II) was considered as a drug candidate for further development. If you want to learn more about this compound(Methyl 3-bromopropanoate)Related Products of 3395-91-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3395-91-3).

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Related Products of 3395-91-3. 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: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Catalytic Asymmetric Homologation of Ketones with α-Alkyl α-Diazo Esters. Author is Tan, Fei; Pu, Maoping; He, Jun; Li, Jinzhao; Yang, Jian; Dong, Shunxi; Liu, Xiaohua; Wu, Yun-Dong; Feng, Xiaoming.

The homologation of ketones with diazo compounds was a useful strategy to synthesize one-carbon chain-extended acyclic such as PhC(O)CMeCO2MeR [R = allyl, Bn, CH2(2-naphthyl), etc.] or ring-expanded cyclic ketones e.g., I. However, the asym. homologation of acyclic ketones with α-diazo esters remains a challenge due to the lower reactivity and complicated selectivity. Herein, the enantioselective catalytic homologation of acetophenone and related derivatives with α-alkyl α-diazo esters was reported utilizing a chiral scandium(III) N,N’-dioxide as the Lewis acid catalyst. This reaction supplies a highly chemo-, regio-, and enantioselective pathway for the synthesis of optically active β-keto esters with an all-carbon quaternary center through highly selective alkyl-group migration of the ketones. Moreover, the ring expansion of cyclic ketones was accomplished under slightly modified conditions, affording a series of enantioenriched cyclic β-keto esters. D. functional theory calculations was carried out to elucidate the reaction pathway and possible working models that could explain the observed regio- and enantioselectivity.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Zhu, Haichao; Liu, Meihua; Li, Haiyan; Guan, Ting; Zhang, Qi; Chen, Yang; Liu, Yingxiang; Hartmann, Rolf R.; Yin, Lina; Hu, Qingzhong published the article 《Design, synthesis and biological evaluation of pyridyl substituted benzoxazepinones as potent and selective inhibitors of aldosterone synthase》. Keywords: pyridyl benzoxazepinone preparation aldosterone synthase inhibitor mol docking.They researched the compound: Methyl 3-bromopropanoate( cas:3395-91-3 ).Related Products of 3395-91-3. 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:3395-91-3) here.

Exorbitant aldosterone is closely associated with various severe diseases, including congestive heart failure and chronic kidney disease. As aldosterone synthase is the pivotal enzyme in aldosterone biosynthesis, its inhibition constitutes a promising treatment for these diseases. Via a structure-based approach, a series of pyridyl substituted 3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-ones I (R = dimethylaminyl, F, pyrrolidin-1-yl, etc.; R1 = 4-methylpyridin-3-yl, 5-(trifluoromethyl)pyridin-3-yl, 5-fluoropyridin-3-yl, etc.) were designed as inhibitors of aldosterone synthase. Six compounds I (R = dimethylaminyl, R1 = 5-methylpyridin-3-yl; R1 = R = dimethylaminyl, 4-methylpyridin-3-yl; R = dimethylaminyl, R1 = 5-methoxypyridin-3-yl; R1 = 4-methylpyridin-3-yl, R = morpholin-4-yl; R1 = 4-methylpyridin-3-yl, R = piperazin-1-yl (II); R1 = 4-methylpyridin-3-yl, R = 4-methylpiperazin-1-yl) distinguished themselves with potent inhibition (IC50 <100 nmol/L) and high selectivity over homogenous 11β-hydroxylase. As the most promising compound, (II) exhibited an IC50 of 12 nmol/L and an excellent selectivity factor (SF) of 157, which are both superior to those of the reference fadrazole (IC50 = 21 nmol/L, SF = 7). Importantly, (II) showed no inhibition against steroidogenic CYP17, CYP19 and a panel of hepatic CYP enzymes indicating an outstanding safety profile. As it manifested satisfactory pharmacokinetic properties in rats, compound (II) was considered as a drug candidate for further development. If you want to learn more about this compound(Methyl 3-bromopropanoate)Related Products of 3395-91-3, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3395-91-3).

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthetic Route of C4H7BrO2. 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: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Discovery of novel aminopiperidinyl amide CXCR4 modulators through virtual screening and rational drug design. Author is Oum, Yoon Hyeun; Kell, Steven A.; Yoon, Younghyoun; Liang, Zhongxing; Burger, Pieter; Shim, Hyunsuk.

The C-X-C chemokine receptor type 4 (CXCR4) is a potential therapeutic target for HIV infection, metastatic cancer, and inflammatory autoimmune diseases. In this study, we screened the ZINC chem. database for novel CXCR4 modulators through a series of in silico guided processes. After evaluating the screened compounds for their binding affinities to CXCR4 and inhibitory activities against the chemoattractant CXCL12, we identified a hit compound (ZINC 72372983) showing 100 nM affinity and 69% chemotaxis inhibition at the same concentration (100 nM). To increase the potency of our hit compound, we explored the protein-ligand interactions at an at. level using mol. dynamics simulation which enabled us to design and synthesize a novel compound (Z7R) with nanomolar affinity (IC50 = 1.25 nM) and improved chemotaxis inhibition (78.5%). Z7R displays promising anti-inflammatory activity (50%) in a mouse edema model by blocking CXCR4-expressed leukocytes, being supported by our immunohistochem. study.

If you want to learn more about this compound(Methyl 3-bromopropanoate)Synthetic Route of C4H7BrO2, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(3395-91-3).

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem