Day: April 7, 2022

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: 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.Computed Properties of C4H7BrO2.

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

Application In Synthesis of 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 Use of Green Solvents in Metallaphotoredox Cross-Electrophile Coupling Reactions Utilizing Lipophilic Modified Dual Ir/Ni Catalyst System. Author is Delgado, Pete; Glass, Raoul J.; Geraci, Gina; Duvadie, Rohit; Majumdar, Dyuti; Robinson, Richard I.; Elmaarouf, Imran; Mikus, Malte; Tan, Kian L..

Facilitating photoredox coupling reactions in process friendly green solvents was achieved by the successful application of the dual Ir/Ni catalyst system with enhanced solubility properties. These photochem. reactions (specifically Br-Br sp2-sp3 cross electrophile coupling) are reported in a head to head comparison to the reactions using standard di-t-Bu bipyridine ligand Ir/Ni catalyst system. This presentation highlights the benefits of altering the solubility properties of the ligands used in the Ir/Ni dual catalyst.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Electric Literature 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 Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase. Author is Markert, Christian; Thoma, Gebhard; Srinivas, Honnappa; Bollbuck, Birgit; Luond, Rainer M.; Miltz, Wolfgang; Walchli, Rudolf; Wolf, Romain; Hinrichs, Jurgen; Bergsdorf, Christian; Azzaoui, Kamal; Penno, Carlos A.; Klein, Kai; Wack, Nathalie; Jager, Petra; Hasler, Franziska; Beerli, Christian; Loetscher, Pius; Dawson, Janet; Wieczorek, Grazyna; Numao, Shin; Littlewood-Evans, Amanda; Rohn, Till A..

The cytosolic metalloenzyme leukotriene A4 hydrolase (LTA4H) is the final and rate-limiting enzyme in the biosynthesis of pro-inflammatory leukotriene B4 (LTB4). Preclin. studies have validated this enzyme as an attractive drug target in chronic inflammatory diseases. Despite several attempts, no LTA4H inhibitor has reached the market, yet. Herein, we disclose the discovery and preclin. profile of LYS006 (I), a highly potent and selective LTA4H inhibitor. A focused fragment screen identified hits that could be cocrystd. with LTA4H and inspired a fragment merging. Further optimization led to chiral amino acids and ultimately to LYS006, a picomolar LTA4H inhibitor with exquisite whole blood potency and long-lasting pharmacodynamic effects. Due to its high selectivity and its ability to fully suppress LTB4 generation at low exposures in vivo, LYS006 has the potential for a best-in-class LTA4H inhibitor and is currently investigated in phase II clin. trials in inflammatory acne, hidradenitis suppurativa, ulcerative colitis, and NASH.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Discovery of Potent, Orally Bioavailable, Small-Molecule Inhibitors of WNT Signaling from a Cell-Based Pathway Screen, published in 2015-02-26, which mentions a compound: 254905-58-3, mainly applied to trisubstituted pyridine preparation bioavailability WNT signaling inhibitor antitumor, SDS of cas: 254905-58-3.

WNT signaling is frequently deregulated in malignancy, particularly in colon cancer, and plays a key role in the generation and maintenance of cancer stem cells. The authors report the discovery and optimization of a 3,4,5-trisubstituted pyridine, 1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide (9), using a high-throughput cell-based reporter assay of WNT pathway activity. The authors demonstrate a twisted conformation about the pyridine-piperidine bond of (9) by small-mol. x-ray crystallog. Medicinal chem. optimization to maintain this twisted conformation, cognisant of physicochem. properties likely to maintain good cell permeability, led to 8-[3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl]-2,8-diazaspiro[4,5]decan-1-one (74) (CCT251545), a potent small-mol. inhibitor of WNT signaling with good oral pharmacokinetics. The authors demonstrate inhibition of WNT pathway activity in a solid human tumor xenograft model with evidence for tumor growth inhibition following oral dosing. This work provides a successful example of hypothesis-driven medicinal chem. optimization from a singleton hit against a cell-based pathway assay without knowledge of the biochem. target.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

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: 3395-91-3, is researched, SMILESS is O=C(OC)CCBr, Molecular C4H7BrO2Journal, Article, Chemistry – A European Journal called Synthesis of Highly Enantioenriched Sulfonimidoyl Fluorides and Sulfonimidamides by Stereospecific Sulfur-Fluorine Exchange (SuFEx) Reaction, Author is Greed, Stephanie; Briggs, Edward L.; Idiris, Fahima I. M.; White, Andrew J. P.; Luecking, Ulrich; Bull, James A., the main research direction is enantioenriched sulfonimidoyl fluoride sulfonimidamide preparation stereospecific SuFEx; SuFEx reactions; chirality; sulfonimidamides; sulfur; synthetic methods.Recommanded Product: Methyl 3-bromopropanoate.

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

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 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.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 3395-91-3, is researched, Molecular C4H7BrO2, about Melanin-dot-mediated delivery of metallacycle for NIR-II/photoacoustic dual-modal imaging-guided chemo-photothermal synergistic therapy, the main research direction is photothermal therapy photoacoustic imaging NIR tumor; chemo-photothermal synergistic therapy; melanin dots; metallacycle; supramolecular coordination complexes; the second near-infrared channel.Quality Control of Methyl 3-bromopropanoate.

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

Related Products of 3395-91-3. 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 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.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – 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.Harden, Fiona A.; Quinn, Ronald J.; Scammells, Peter J. researched the compound: 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile( cas:71856-54-7 ).Related Products of 71856-54-7.They published the article 《Synthesis and adenosine receptor affinity of a series of pyrazolo[3,4-d]pyrimidine analogs of 1-methylisoguanosine》 about this compound( cas:71856-54-7 ) in Journal of Medicinal Chemistry. Keywords: methylisoguanosine analog pyrazolopyrimidine; aminoalkylarylpyrazolopyrimidinone preparation adenosine receptor affinity. We’ll tell you more about this compound (cas:71856-54-7).

Two series of pyrazolo[3,4-d]pyrimidine analogs I (R = Ph, substituted Ph; R1 = Me; R = Ph, R1 = Et, Pr, Bu, Ph; R = 3-ClC6H4, R1 = Et, Pr, Bu) of 1-methylisoguanosine have been synthesized. All I were tested for A1 adenosine receptor affinity by using a (R)-{3H}-N6-(phenylisopropyl)adenosine binding assay. The 3-chlorophenyl group showed the greatest activity in the N1-position and the Bu group produced the greatest activity in the N5-position. Combination of the best substituent in each of these positions enhanced the overall activity. The most potent compound was I (R = 3-C6H4Cl, R1 = Bu) (II) with an IC50 of 6.4 × 10-6M. Selectivity at the receptor subclasses was examined by performing an A2 adenosine receptor affinity assay with [3H]CGS 21680. This series of compounds were slightly less potent at A2 receptors. II was the most potent compound with an IC50 of 19.2 × 10-6M.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

COA of Formula: C4H7BrO2. 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: Methyl 3-bromopropanoate, is researched, Molecular C4H7BrO2, CAS is 3395-91-3, about Asymmetric α-alkylation of cyclic β-keto esters and β-keto amides by phase-transfer catalysis. Author is Wang, Yakun; Li, Yueyun; Lian, Mingming; Zhang, Jixia; Liu, Zhaomin; Tang, Xiaofei; Yin, Hang; Meng, Qingwei.

Without employing any transition metal, a highly enantioselective α-alkylation of cyclic β-keto esters and β-keto amides has been realized by phase-transfer catalysis. This improved procedure is applicable to different kinds of bromides with cinchona derivatives and gives the corresponding products e.g., I and e.g., II, in excellent enantiopurities (up to 98% ee) and good yields (up to 98%). Moreover, the reaction was scalable and the phase-transfer catalyst was recyclable. This provided an alternative and competitive method to the asym. α-alkylation of β-dicarbonyl compounds

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem