Tag: 100-200

Lucas, Simon C. C.; Atkinson, Stephen J.; Chung, Chun-wa; Davis, Rob; Gordon, Laurie; Grandi, Paola; Gray, James J. R.; Grimes, Thomas; Phillipou, Alexander; Preston, Alex G.; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Tomkinson, Nicholas C. O.; Wall, Ian; Watson, Robert J.; Woolven, James; Demont, Emmanuel H. published their research in Journal of Medicinal Chemistry on August 12 ,2021. The article was titled 《Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors》.Name: 4,4-Diethoxybutan-1-amine The article contains the following contents:

Herein, a series of 2,3-dihydrobenzofurans have been developed as highly potent bromo and extra-terminal domain (BET) inhibitors with 1000-fold selectivity for the second bromodomain over the first bromodomain. Investment in the development of two orthogonal synthetic routes delivered inhibitors that were potent and selective but had raised in vitro clearance and suboptimal solubility Insertion of a quaternary center into the 2,3-dihydrobenzofuran core blocked a key site of metabolism and improved the solubility This led to the development of inhibitor I (GSK852): a potent, 1000-fold-selective, highly soluble compound with good in vivo rat and dog pharmacokinetics. In the part of experimental materials, we found many familiar compounds, such as 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Name: 4,4-Diethoxybutan-1-amine)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.Name: 4,4-Diethoxybutan-1-amine

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《Exploiting designed oxidase-peroxygenase mutual benefit system for asymmetric cascade reactions》 was written by Yu, Da; Wang, Jian-bo; Reetz, Manfred T.. Application of 133082-13-0 And the article was included in Journal of the American Chemical Society on April 10 ,2019. The article conveys some information:

A unique P 450 monooxygenase-peroxygenase mutual benefit system was designed as the core element in the construction of a biocatalytic cascade reaction sequence leading from 3-Ph propionic acid to (R)-Ph glycol. In this system, P 450 monooxygenase (P 450-BM3) and P 450 peroxygenase (OleTJE) not only function as catalysts for the crucial initial reactions, they also ensure an internal in situ H2O2 recycle mechanism that avoids its accumulation and thus prevents possible toxic effects. By directed evolution of P 450-BM3 as the catalyst in the enantioselective epoxidation of the styrene-intermediate, formed from 3-Ph propionic acid, and the epoxide hydrolase ANEH for final hydrolytic ring opening, (R)-Ph glycol and 9 derivatives thereof were synthesized from the resp. carboxylic acids in one-pot processes with high enantioselectivity. In the experiment, the researchers used many compounds, for example, (1S)-1-(2-chlorophenyl)ethane-1,2-diol(cas: 133082-13-0Application of 133082-13-0)

(1S)-1-(2-chlorophenyl)ethane-1,2-diol(cas: 133082-13-0) belongs to hydroxy-containing compounds. Hydroxy groups participate in the dehydration reactions that link simple biological molecules into long chains. The creation of a peptide bond to link two amino acids to make a protein removes the −OH from the carboxy group of one amino acid.Application of 133082-13-0

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Electric Literature of C6H13NOIn 2021 ,《Fragment-based Scaffold Hopping: Identification of Potent, Selective, and Highly Soluble Bromo and Extra Terminal Domain (BET) Second Bromodomain (BD2) Inhibitors》 was published in Journal of Medicinal Chemistry. The article was written by Seal, Jonathan T.; Atkinson, Stephen J.; Bamborough, Paul; Bassil, Anna; Chung, Chun-wa; Foley, James; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Kruger, Ryan G.; Matteo, Jeanne J.; McCabe, Michael T.; Messenger, Cassie; Mitchell, Darren; Phillipou, Alex; Preston, Alex; Prinjha, Rab K.; Rianjongdee, Francesco; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Wyce, Anastasia; Zhang, Xi-Ping; Demont, Emmanuel H.. The article contains the following contents:

The profound efficacy of pan-BET inhibitors is well documented, but these epigenetic agents have shown pharmacol.-driven toxicity in oncol. clin. trials. The opportunity to identify inhibitors with an improved safety profile by selective targeting of a subset of the eight bromodomains of the BET family has triggered extensive medicinal chem. efforts. In this article, we disclose the identification of potent and selective drug-like pan-BD2 inhibitors such as pyrazole 23 (GSK809) and furan 24 (GSK743) that were derived from the pyrrole fragment 6. We transpose the key learnings from a previous pyridone series (GSK620 2 as a representative example) to this novel class of inhibitors, which are characterized by significantly improved solubility relative to our previous research. The experimental process involved the reaction of trans-4-Aminocyclohexanol(cas: 27489-62-9Electric Literature of C6H13NO)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Electric Literature of C6H13NO

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Quality Control of 3-HydroxybenzaldehydeIn 2020 ,《Synthesis and characterization of a novel and green rod-like magnetic ZnS/CuFe2O4/agar organometallic hybrid catalyst for the synthesis of biologically-active 2-amino-tetrahydro-4H-chromene-3-carbonitrile derivatives》 appeared in Applied Organometallic Chemistry. The author of the article were Bahrami, Shahrzad; Hassanzadeh-Afruzi, Fereshte; Maleki, Ali. The article conveys some information:

The magnetic biocompatible rod-like ZnS/CuFe2O4/agar organometallic hybrid catalyst was designed and prepared based on a natural macromol. (agar) through a green and convenient method using inexpensive, nontoxic, and easily available substances. Then, the as-prepared catalyst was characterized by several techniques such as Fourier transform-IR spectroscopy, energy-dispersive X-ray anal., SEM image, transmission electron microscopy, vibrating sample magnetometry curve, X-ray diffraction pattern, and thermogravimetric anal. Eventually, the catalytic application of the ZnS/CuFe2O4/agar nanobiocomposite was assessed in sequential Knoevenagel condensation-Michael addition reaction of dimedone, malononitrile, and different substituted aromatic aldehydes for the synthesis of 2-amino-tetrahydro-4H-chromene-3-carbonitrile derivatives Some notable strengths of this environmentally benign catalyst include simplicity of catalyst preparation and separation, affording desired products with satisfactory yields (81%-97%) in very short reaction times (3-18 min), and with no need for complicated work-up processes. Exptl. tests showed that the catalyst can be successfully reused after five sequential runs without significant reduction in its catalytic efficiency.3-Hydroxybenzaldehyde(cas: 100-83-4Quality Control of 3-Hydroxybenzaldehyde) was used in this study.

3-Hydroxybenzaldehyde(cas: 100-83-4) is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.Quality Control of 3-Hydroxybenzaldehyde

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Application In Synthesis of 5-Hexen-1-olIn 2021 ,《Photochemical intermolecular dearomative cycloaddition of bicyclic azaarenes with alkenes》 appeared in Science (Washington, DC, United States). The author of the article were Ma, Jiajia; Chen, Shuming; Bellotti, Peter; Guo, Renyu; Schaefer, Felix; Heusler, Arne; Zhang, Xiaolong; Daniliuc, Constantin; Brown, M. Kevin; Houk, Kendall N.; Glorius, Frank. The article conveys some information:

Dearomative cycloaddition reactions represent an ideal means of converting flat arenes into three-dimensional architectures of increasing interest in medicinal chem. Quinolines, isoquinolines, and quinazolines, despite containing latent diene and alkene subunits, are scarcely applied in cycloaddition reactions because of the inherent low reactivity of aromatic systems and selectivity challenges. Here, we disclose an energy transfer-mediated, highly regio- and diastereoselective intermol. [4 + 2] dearomative cycloaddition reaction of these bicyclic azaarenes with a plethora of electronically diverse alkenes. This approach bypasses the general reactivity and selectivity issues, thereby providing various bridged polycycles that previously have been inaccessible or required elaborate synthetic efforts. Computational studies with d. functional theory elucidate the mechanism and origins of the observed regio- and diastereoselectivities. In addition to this study using 5-Hexen-1-ol, there are many other studies that have used 5-Hexen-1-ol(cas: 821-41-0Application In Synthesis of 5-Hexen-1-ol) was used in this study.

5-Hexen-1-ol(cas: 821-41-0) is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry.Application In Synthesis of 5-Hexen-1-ol

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Quality Control of 3-HydroxybenzaldehydeIn 2020 ,《Synthesis, spectral characterization and biological activity of some novel quinoline-substituted thiazolo[4,5-e]azepine derivatives》 appeared in Research Journal of Chemical Sciences. The author of the article were Ravi, Sharma; Kishore, Dharam. The article conveys some information:

A novel series of quinoline-substituted thiazolo(hetero)azepines I (R = Ph, 3-ClC6H4, 3-HOC6H4; X = NH, O, S) was synthesized via condensation of thiazolidinones II with o-phenylenediamine, o-aminophenol or o-aminothiophenol in the presence of glacial acetic acid in methanol. The compounds II were in turn synthesized by condensation of N-(4-oxo-2-phenylthiazolidin-3-yl)-2-(quinolin-8-yloxy)acetamide with various aromatic aldehydes. All novel compounds were characterized by spectroscopic methods (MASS, IR, 1H NMR) and elemental anal. The antimicrobial activity of these compounds has been studied using the micro dilution format.3-Hydroxybenzaldehyde(cas: 100-83-4Quality Control of 3-Hydroxybenzaldehyde) was used in this study.

3-Hydroxybenzaldehyde(cas: 100-83-4) is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.Quality Control of 3-Hydroxybenzaldehyde

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Recommanded Product: 26153-38-8In 2019 ,《Synthesis, anticancer activity and molecular docking studies of some novel quinoline hydrazide derivatives of substituted benzaldehydes》 appeared in Rasayan Journal of Chemistry. The author of the article were Gayam, Venkatareddy; Ravi, Subban; Ravikumar, G. M. V. N. A. R.; Thangamani, Arumugam. The article conveys some information:

A novel series of quinoline hydrazide bridged derivatives were synthesized by a multistep reaction from vanillic acid. The reactions involved esterification, O-alkylation, nitration, reduction, cyclization, to get 7-(3-hloropropoxy)-4-hydroxy-6-methoxyquinoline-3-carbonitrile 5 which further reacted with Et bromoacetate to yield the corresponding ester 6. Compound 6 react with hydrazine hydrate to afford the hydrazide 7, which then reacted with substituted benzaldehydes to afford the corresponding quinoline-hydrazides 8 – 19. The synthesized compounds were characterized by IR, NMR and MS data. Compounds 7-19 were tested for their cytotoxic activity by Trypan blue, MTT and LDH assays. All the tested compounds showed cytotoxic activity and the results are comparable with the standard compound bosutinib. Compound 12 showed an IC50 value of 26.93 ± 2.8 and 28.92 ± 1.6μg/mL by MTT and trypan blue assay resp. Structure activity relationship was discussed among the compounds 7-19. Mol. docking studies were carried out for all the compounds 7-19 against BCR-ABL T315I protein. Compound 12 showed very good interactions with the protein like any other tyrosine kinase inhibitors. After reading the article, we found that the author used 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Recommanded Product: 26153-38-8)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.Recommanded Product: 26153-38-8

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Computed Properties of C3H8ClNOIn 2017 ,《Discovery and in vivo effects of novel human natriuretic peptide receptor A (NPR-A) agonists with improved activity for rat NPR-A》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Iwaki, Takehiko; Tanaka, Taisaku; Miyazaki, Kazuo; Suzuki, Yamato; Okamura, Yoshihiko; Yamaki, Akira; Iwanami, Makoto; Morozumi, Naomi; Furuya, Mayumi; Oyama, Yoshiaki. The article conveys some information:

Natriuretic peptide receptor A (NPR-A) agonists were evaluated in vivo by optimizing the structure of quinazoline derivatives to improve agonistic activity for rat NPR-A. A 1,4-Cis-aminocyclohexylurea moiety at 4-position and hydroxy group of D-alaninol at 2-position on the quinazoline ring were found to be important factors in improving rat NPR-A activity. The authors identified potent quinazoline and pyrido[2,3-d]pyrimidine derivatives against rat NPR-A, with double-digit nanomolar EC50 values. The in vivo results showed that compound 56b (1-((1S,4S)-4-((6-(3-fluorophenyl)-2-(((R)-1-hydroxypropan-2-yl)amino)pyrido[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)-3-((R)-1-hydroxy-3-methylbutan-2-yl)urea) administered at 1.0 mg/kg/min significantly increased plasma cGMP concentration and urine volume in rats. The authors discovered novel potent NPR-A agonists that showed agonistic effects similar to those of atrial natriuretic peptide. After reading the article, we found that the author used Azetidin-3-ol hydrochloride(cas: 18621-18-6Computed Properties of C3H8ClNO)

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Computed Properties of C3H8ClNO Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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The author of 《Hip To Be Square: Oxetanes as Design Elements To Alter Metabolic Pathways》 were Toselli, Francesca; Fredenwall, Marlene; Svensson, Peder; Li, Xue-Qing; Johansson, Anders; Weidolf, Lars; Hayes, Martin A.. And the article was published in Journal of Medicinal Chemistry in 2019. HPLC of Formula: 18621-18-6 The author mentioned the following in the article:

Oxetane-containing ring systems are increasingly used in medicinal chem. programs to modulate druglike properties. We have shown previously that oxetanes are hydrolyzed to diols by human microsomal epoxide hydrolase (mEH). Mapping the enzymes that contribute to drug metabolism is important since an exaggerated dependence on one specific isoenzyme increases the risk of drug-drug interactions with co-administered drugs. Herein, we illustrate that mEH-catalyzed hydrolysis is an important metabolic pathway for a set of more structurally diverse oxetanes and the degree of hydrolysis is modulated by minor structural modifications. A homol. model based on the Bombyx mori EH crystal structure was used to rationalize substrate binding. This study shows that oxetanes can be used as drug design elements for directing metabolic clearance via mEH, thus potentially decreasing the dependence on cytochromes P 450. Metabolism by mEH should be assessed early in the design process to understand the complete metabolic fate of oxetane-containing compounds, and further study is required to allow accurate pharmacokinetic predictions of its substrates. The experimental process involved the reaction of Azetidin-3-ol hydrochloride(cas: 18621-18-6HPLC of Formula: 18621-18-6)

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.HPLC of Formula: 18621-18-6 Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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The author of 《Mechanical Susceptibility of a Rotaxane》 were Zhang, Min; De Bo, Guillaume. And the article was published in Journal of the American Chemical Society in 2019. COA of Formula: C3H7BrO The author mentioned the following in the article:

We have investigated the mech. dissociation of an ammonium/crown ether rotaxane using exptl. (sonication) and computational (CoGEF) methods and found that it breaks faster than its noninterlocked or uncoupled interlocked (i.e., pulled from both sides of the axle) counterparts. This was confirmed by the anal. of the fragments, which are the results of a selective unstoppering reaction. Interestingly, the initial dissociation also triggered the elimination of the axle segment separating the stopper from the ammonium binding station. CoGEF calculations have shown that the constriction of the axle by the macrocycle during the elongation of the rotaxane provokes the accumulation of tensile and torsional stress that ultimately leads to the rupture of a covalent bond in the constricted section of the axle. Overall, these results suggest that the rotaxane architecture acts as a lever that accelerates the dissociation of interlocked covalent bonds. This phenomenon could impact the mech. properties of slide-ring materials at high strain. The experimental process involved the reaction of 3-Bromopropan-1-ol(cas: 627-18-9COA of Formula: C3H7BrO)

3-Bromopropan-1-ol(cas: 627-18-9) is used in the synthesis of fluorescent halide-sensitive quinolinium dyes, chiral, quaternary prolines through cyclization of quaternary amino acids and molten salt-polymers. It is utilized for the study of micellar media and in microemulsions based on cationic or a nonionic surfactant by reacting with phenols.COA of Formula: C3H7BrO

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