Day: April 18, 2022

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Methyl 3-bromopropanoate(SMILESS: O=C(OC)CCBr,cas:3395-91-3) is researched.Formula: C44H69NP2. The article 《Byproducts formed During Thiol-Acrylate Reactions Promoted by Nucleophilic Aprotic Amines: Persistent or Reactive?》 in relation to this compound, is published in ChemPlusChem. Let’s take a look at the latest research on this compound (cas:3395-91-3).

The nucleophile-initiated mechanism of thiol-Michael reactions naturally leads to the formation of undesired nucleophile byproducts. Three aza-Michael compounds representing nucleophile byproducts of thiol-acrylate reactions initiated by 4-dimethylaminopyridine (DMAP), 1-methylimidazole (MIM), and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) have been synthesized and their reactivity in the presence of thiolate has been investigated. Spectroscopic anal. shows that each nucleophile byproduct reacts with thiolate to produce a desired thiol-acrylate product along with liberated aprotic amines DMAP, MIM, or DBU, thus demonstrating that these byproducts are reactive rather than persistent. D. functional theor. computations support exptl. observations and predict that a β-elimination mechanism is favored for converting each nucleophile byproduct into a desired thiol-acrylate product, though an SN2 process can be competitive (i. e. within <2.5 kcal/mol) in less polar solvents. The article 《Byproducts formed During Thiol-Acrylate Reactions Promoted by Nucleophilic Aprotic Amines: Persistent or Reactive?》 also mentions many details about this compound(3395-91-3)SDS of cas: 3395-91-3, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Formula: C44H69NP2. 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-(Di(adamantan-1-yl)phosphino)ethyl)amine, is researched, Molecular C44H69NP2, CAS is 1086138-36-4, about Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study. Author is Wei, Duo; Sadek, Omar; Dorcet, Vincent; Roisnel, Thierry; Darcel, Christophe; Gras, Emmanuel; Clot, Eric; Sortais, Jean-Baptiste.

The selective mono-N-methylation of anilines using methanol as an alkylating reagent was achieved with high efficiency under the catalysis of well-defined rhenium complexes bearing tridentate diphosphinoamino ligands and in the presence of a base. The reaction proceeds well for a large scope of anilines (32 examples) with low loadings of both the catalyst (down to 0.5 mol%) and the base (Cs2CO3, down to 5 mol%). The mechanism of the reaction was investigated by DFT (PBE0-D3) calculations

The article 《Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study》 also mentions many details about this compound(1086138-36-4)Formula: C44H69NP2, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Recommanded Product: Methyl 3-bromopropanoate. 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 Design, synthesis and biological evaluation of pyridyl substituted benzoxazepinones as potent and selective inhibitors of aldosterone synthase.

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. The article 《Design, synthesis and biological evaluation of pyridyl substituted benzoxazepinones as potent and selective inhibitors of aldosterone synthase》 also mentions many details about this compound(3395-91-3)Recommanded Product: Methyl 3-bromopropanoate, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Name: Methyl 3-bromopropanoate. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Cobalt(I)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides. Author is Verma, Piyush Kumar; Prasad, K. Sujit; Varghese, Dominic; Geetharani, K..

A Co-complex-catalyzed borylation of a wide range of alkyl halides with a diboron reagent (B2pin2 or B2neop2) was developed under mild reaction conditions, demonstrating the 1st Co-mediated cross-coupling with alkyl electrophiles. This protocol allows alkyl boronic esters to be accessed from alkyl halides, including alkyl chlorides, which were used rarely as coupling partners. Mechanistic studies reveal the possible involvement of an alkyl radical intermediate in this Co-mediated catalytic cycle.

The article 《Cobalt(I)-Catalyzed Borylation of Unactivated Alkyl Bromides and Chlorides》 also mentions many details about this compound(3395-91-3)Name: Methyl 3-bromopropanoate, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

HPLC of Formula: 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 A bright NIR-II fluorescent probe for breast carcinoma imaging and image-guided surgery. Author is Zeng, Xiaodong; Xie, Liru; Chen, Deliang; Li, Shanshan; Nong, Jinxia; Wang, Bo; Tang, Lin; Li, Qianqian; Li, Yang; Deng, Zixin; Hong, Xuechuan; Wu, Mingfu; Xiao, Yuling.

A novel bright near-IR II (NIR-II, 1000-1700 nm) fluorescent probe with excellent water-solubility, superior photostability, and excellent in vitro and in vivo biocompatibility was facilely synthesized for in vivo biomedical imaging of xenograft breast tumor and chem. induced spontaneous breast carcinoma. To the best of our knowledge, it is the first time that the superior practical applications of this NIR-II probe in dimethylbenzanthracene (DMBA)-induced rat mammary carcinoma imaging and image-guided rat carcinoma surgery were demonstrated.

The article 《A bright NIR-II fluorescent probe for breast carcinoma imaging and image-guided surgery》 also mentions many details about this compound(3395-91-3)HPLC of Formula: 3395-91-3, you can pay attention to it or contacet with the author([email protected]) to get more information.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – 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 Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study, published in 2018-10-31, which mentions a compound: 1086138-36-4, Name is Bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine, Molecular C44H69NP2, Product Details of 1086138-36-4.

The selective mono-N-methylation of anilines using methanol as an alkylating reagent was achieved with high efficiency under the catalysis of well-defined rhenium complexes bearing tridentate diphosphinoamino ligands and in the presence of a base. The reaction proceeds well for a large scope of anilines (32 examples) with low loadings of both the catalyst (down to 0.5 mol%) and the base (Cs2CO3, down to 5 mol%). The mechanism of the reaction was investigated by DFT (PBE0-D3) calculations

The article 《Selective mono N-methylation of anilines with methanol catalyzed by rhenium complexes: An experimental and theoretical study》 also mentions many details about this compound(1086138-36-4)Product Details of 1086138-36-4, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Computed Properties 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 Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human β-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor. Author is Kumar, Kunal; Wang, Peng; Wilson, Jessica; Zlatanic, Viktor; Berrouet, Cecilia; Khamrui, Susmita; Secor, Cody; Swartz, Ethan A.; Lazarus, Michael; Sanchez, Roberto; Stewart, Andrew F.; Garcia-Ocana, Adolfo; DeVita, Robert J..

Recently, our group identified that harmine is able to induce β-cell proliferation both in vitro and in vivo, mediated via the DYRK1A-NFAT pathway. Since, harmine suffers from a lack of selectivity, both against other kinases and CNS off-targets, we therefore sought to expand structure-activity relationships for harmine’s DYRK1A activity, to enhance selectivity for off-targets while retaining human β-cell proliferation activity. We carried out optimization of the 9-N-position of harmine to synthesize 29 harmine-based analogs. Several novel inhibitors showed excellent DYRK1A inhibition and human β-cell proliferation capability. An optimized DYRK1A inhibitor, compound I, was identified as a novel, efficacious in vivo lead candidate. Compound I also demonstrates improved selectivity for kinases and CNS off-targets, as well as in vivo efficacy for β-cell proliferation and regeneration at lower doses than harmine. Collectively, these findings demonstrate that compound I is a much improved in vivo lead candidate as compared to harmine for the treatment of diabetes.

The article 《Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human β-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor》 also mentions many details about this compound(3395-91-3)Computed Properties of C4H7BrO2, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Methyl 3-bromopropanoate(SMILESS: O=C(OC)CCBr,cas:3395-91-3) is researched.Computed Properties of C4H7BrO2. The article 《Smart carbon dots as chemosensor for control of water contamination in organic media》 in relation to this compound, is published in Sensors and Actuators, B: Chemical. Let’s take a look at the latest research on this compound (cas:3395-91-3).

A novel nanoprobe was synthesized by functionalizing gluthatione/citric acid-carbon dots (CDs) with a benzo-isoquinolin-based mol., Me 3-(4-(2-(5-((methylsulfonyl)oxy)pentyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)piperazin-1-yl)propanoate (water chemosensor, WCS), to detect trace amounts of water in non-aqueous media via on-off fluorescence. The design and synthesis of the free mol. WCS and the functionalized nanoprobe (CD-WCS) are described in detail and as well as their full characterization by different spectroscopic methods. WCS was found to be an excellent indicator of pH in aqueous media and exhibited, in solvents of different polarity, solvatochromic behavior. On the other hand, the modified fluorescence intensity of CD-WCS was found to be an excellent indicator for water in non-aqueous media (organic solvents and oil-based lubricants). In these media, CD-WCS showed weak fluorescence intensity due to a photoinduced electron transfer (PET) process. Sequential addition of trace amount of water led to revival of CD-WCS fluorescence intensity. The fluorescence on-off mechanisms are proposed for WCS in aqueous media as well as for CD-WCS in non-aqueous media. The anal. performance characteristics of CD-WCS showed a limit of detection for water of 0.00021% (volume/volume) in toluene and 0.00014% volume/volume in base-oil lubricant. The potential application of CD-WCS as chemosensor of water contamination in oil-based lubricants as well as green anti-wear/anti-friction lubricant additive are outlined.

The article 《Smart carbon dots as chemosensor for control of water contamination in organic media》 also mentions many details about this compound(3395-91-3)Related Products of 3395-91-3, you can pay attention to it, because details determine success or failure

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Computed Properties of C4H7BrO2. 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 Rational Design of a Multifunctional Molecular Dye with Single Dose and Laser for Efficiency NIR-II Fluorescence/Photoacoustic Imaging Guided Photothermal Therapy. Author is Zhang, Ruiping; Wang, Zhenjun; Xu, Liying; Xu, Yuling; Lin, Yi; Zhang, Ying; Sun, Yao; Yang, Guangfu.

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.

After consulting a lot of data, we found that this compound(3395-91-3)Computed Properties of C4H7BrO2 can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Category: benzothiophene. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Efficient Synthesis and Bioevaluation of Novel Dual Tubulin/Histone Deacetylase 3 Inhibitors as Potential Anticancer Agents. Author is Peng, Xiaopeng; Chen, Jingxuan; Li, Ling; Sun, Zhiqiang; Liu, Jin; Ren, Yichang; Huang, Junli; Chen, Jianjun.

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.

After consulting a lot of data, we found that this compound(3395-91-3)Category: benzothiophene can be used in many types of reactions. And in most cases, this compound has more advantages.

Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem