Our Top Choice Compound: 1086138-36-4

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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 Additive-Free Isomerization of Allylic Alcohols to Ketones with a Cobalt PNP Pincer Catalyst, published in 2019, which mentions a compound: 1086138-36-4, mainly applied to cobalt PNP Pincer complex preparation oxidation potential; allylic alc cobalt catalyst green isomerization; alkanone preparation; allylic alcohols; cobalt catalysts; isomerization; ketones; pincer ligands, Category: benzothiophene.

Catalytic isomerization of allylic alcs. in ethanol as a green solvent was achieved by using air and moisture stable cobalt (II) complexes in the absence of any additives. Under mild conditions, the cobalt PNP pincer complex substituted with Ph groups on the phosphorus atoms appeared to be the most active. High rates were obtained at 120°, even though the addition of one equivalent of base increases the speed of the reaction drastically. Although some evidence was obtained supporting a dehydrogenation-hydrogenation mechanism, it was proved that this is not the major mechanism. Instead, the cobalt hydride complex formed by dehydrogenation of ethanol was capable of double-bond isomerization through alkene insertion-elimination.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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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 Discovery of Novel Janus Kinase (JAK) and Histone Deacetylase (HDAC) Dual Inhibitors for the Treatment of Hematological Malignancies, the main research direction is pyrimidinaminopyrazole hydroxamate preparation JAK HDAC inhibitor hematol malignancy treatment; selected pyrimidinaminopyrazole compound pharmacokinetic study bioavailability antitumor efficacy.Electric Literature of C4H7BrO2.

Concurrent inhibition of Janus kinase (JAK) and histone deacetylase (HDAC) could potentially improve the efficacy of the HDAC inhibitors in the treatment of cancers and resolve the problem of HDAC inhibitor resistance in some tumors. Here, a novel series of pyrimidin-2-amino-pyrazol hydroxamate derivatives as JAK and HDAC dual inhibitors was designed, synthesized, and evaluated, among which I possessed potent and balanced activities against both JAK2 and HDAC6 with half-maximal inhibitory concentration at the nanomolar level. I exhibited improved antiproliferative and proapoptotic activities over SAHA and ruxolitinib in several hematol. cell lines. Remarkably, I exhibited more potent antiproliferation effect than the combination of SAHA and ruxolitinib in HEL cells bearing JAK2V617F mutation. Pharmacokinetic studies in mice showed that I possessed good bioavailability after i.p. administration. Finally, I showed antitumor efficacy with no significant toxicity in a HEL xenograft model. Collectively, the results confirm the therapeutic potential of JAK and HDAC dual inhibitors in hematol. malignancies and provide valuable leads for further structural optimization and antitumor mechanism study.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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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 Stability evaluation of iron and vitamin A during processing and storage of fortified pasta, published in 2020, which mentions a compound: 2489531-02-2, Name is Ethylenediaminetetraaceticacidferricsodiumsalttrihydrate, Molecular C10H18FeN2NaO11, Product Details of 2489531-02-2.

Pasta holds greater potential for improving the nutritional status of the population and its fortification with micronutrients like iron and vitamin A could be an effective strategy to provide the essential nutrients in the diet. This study quantified the losses of two different micronutrients (iron and vitamin A) in fortified pasta postprocessing and during storage for 4 mo. Chem. salts of iron, namely, ferric sodium ethylene diamine tetra-acetic acid (NaFeEDTA) and ferrous sulfate (FeSO4), were added to pasta formulation at 4,5,6 mg/100g and 6,7,8 mg/100g resp., whereas for vitamin A, retinyl acetate (RA) was added at 700, 800 and 900μg/100g. After processing, the prepared pasta with both iron salts showed retention of 94-95% for iron and 90-92% of vitamin A activity. Iron and vitamin A-fortified pasta with maximum retention during processing and exhibiting optimum color attributes and sensory score were stored alone and in combination (NaFeEDTA and RA) at 25 and 40°C in laminates (aluminum laminates) and polypropylene packets for a period of 4 mo and evaluated for changes in their iron and vitamin A contents. An overall retention of 93-95% of the iron and 56-62% of vitamin A was observed after 4 mo considering losses during processing and storage. Among the two packaging materials used, laminates retained more of iron and vitamin A activity than polypropylene. No difference in retention rates was observed for iron and vitamin A when fortified alone or in combination.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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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 Iodinated Cyanine Dyes for Fast Near-Infrared-Guided Deep Tissue Synergistic Phototherapy, the main research direction is iodinated cyanine dye NIR phototherapy photodynamic therapy; Iodinated cyanine dyes; NIR imaging; enhanced ROS production; photodynamic therapy; photothermal therapy.Computed Properties of C4H7BrO2.

Phototheranostics, which combines deep tissue imaging and phototherapy [photodynamic therapy (PDT) and/or photothermal therapy (PTT)] via light irradiation, is a promising strategy to treat tumors. Near-IR (NIR) cyanine dyes are researched as potential phototheranostics reagents for their excellent photophys. properties. However, the low singlet oxygen generation efficiency of cyanine dyes often leads to inadequate therapeutic efficacy for tumors. Herein, we modified an indocyanine green derivative Cy7 with heavy atom iodine to form a novel NIR dye CyI to improve the reactive oxygen species (ROS) production and heat generation while, at the same time, maintain their fluorescence characteristics for in vivo noninvasive imaging. More importantly, in vitro and in vivo therapeutic results illustrated that CyI could quickly and simultaneously generate enhanced ROS and heat to induce more cancer cell apoptosis and higher inhibition rates in deep HepG2 tumors than other noniodinated NIR dyes upon NIR irradiation Besides, low toxicity of the resulted iodinated NIR dyes was confirmed by in vivo biodistribution and acute toxicity. Results indicate that this low toxic NIR dye could be an ideal phototheranostics agent for deep tumor treatments. Our study presents a novel approach to achieve the fast-synergistic PDT/PTT treatment in deep tissues.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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Reference of 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 5-Amino-1-(2-bromophenyl)-1H-pyrazole-4-carbonitrile, is researched, Molecular C10H7BrN4, CAS is 71856-54-7, about Synthesis and adenosine receptor affinity of a series of pyrazolo[3,4-d]pyrimidine analogs of 1-methylisoguanosine. Author is Harden, Fiona A.; Quinn, Ronald J.; Scammells, Peter J..

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

 

Why do aromatic interactions matter of compound: 3395-91-3

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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.Recommanded Product: 2489531-02-2. The article 《Asymmetric α-alkylation of cyclic β-keto esters and β-keto amides by phase-transfer catalysis》 in relation to this compound, is published in Organic & Biomolecular Chemistry. Let’s take a look at the latest research on this compound (cas:3395-91-3).

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

 

Decrypt The Mystery Of 2489531-02-2

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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: Ethylenediaminetetraaceticacidferricsodiumsalttrihydrate, is researched, Molecular C10H18FeN2NaO11, CAS is 2489531-02-2, about Stability evaluation of iron and vitamin A during processing and storage of fortified pasta.Recommanded Product: 2489531-02-2.

Pasta holds greater potential for improving the nutritional status of the population and its fortification with micronutrients like iron and vitamin A could be an effective strategy to provide the essential nutrients in the diet. This study quantified the losses of two different micronutrients (iron and vitamin A) in fortified pasta postprocessing and during storage for 4 mo. Chem. salts of iron, namely, ferric sodium ethylene diamine tetra-acetic acid (NaFeEDTA) and ferrous sulfate (FeSO4), were added to pasta formulation at 4,5,6 mg/100g and 6,7,8 mg/100g resp., whereas for vitamin A, retinyl acetate (RA) was added at 700, 800 and 900μg/100g. After processing, the prepared pasta with both iron salts showed retention of 94-95% for iron and 90-92% of vitamin A activity. Iron and vitamin A-fortified pasta with maximum retention during processing and exhibiting optimum color attributes and sensory score were stored alone and in combination (NaFeEDTA and RA) at 25 and 40°C in laminates (aluminum laminates) and polypropylene packets for a period of 4 mo and evaluated for changes in their iron and vitamin A contents. An overall retention of 93-95% of the iron and 56-62% of vitamin A was observed after 4 mo considering losses during processing and storage. Among the two packaging materials used, laminates retained more of iron and vitamin A activity than polypropylene. No difference in retention rates was observed for iron and vitamin A when fortified alone or in combination.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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Computed Properties of C4H7BrO2. 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 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

 

Decrypt The Mystery Of 1086138-36-4

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Bis(2-(Di(adamantan-1-yl)phosphino)ethyl)amine(SMILESS: P(CCNCCP(C12CC3CC(C2)CC(C3)C1)C45CC6CC(C5)CC(C6)C4)(C78CC9CC(C8)CC(C9)C7)C%10%11CC%12CC(C%11)CC(C%12)C%10,cas:1086138-36-4) is researched.Computed Properties of C4H7BrO2. The article 《Catalytic Upgrading of Ethanol to n-Butanol via Manganese-Mediated Guerbet Reaction》 in relation to this compound, is published in ACS Catalysis. Let’s take a look at the latest research on this compound (cas:1086138-36-4).

Replacement of precious metal catalysts in the Guerbet upgrade of ethanol to n-butanol with first-row metal complex catalysts is highly appreciated due to their economic and environmental friendliness. The manganese pincer complexes of the type [(RPNP)MnBr(CO)2] (R = iPr, Cy, tBu, Ph or Ad) are found to be excellent catalysts for upgrading ethanol to n-butanol. Under suitable reaction conditions and with an appropriate base, about 34% yield of n-butanol can be obtained in high selectivity. A detailed account on the effect of the temperature, solvent, nature, and proportion of base used and the stereoelectronic effects of the ligand substituents on the catalytic activity of the catalysts as well as the plausible deactivation pathways is presented.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

 

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Computed Properties of 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 In vitro evaluation of antiproliferative properties of novel organotin(IV) carboxylate compounds with propanoic acid derivatives on a panel of human cancer cell lines. Author is Pantelic, Nebojsa D.; Bozic, Bojan; Zmejkovski, Bojana B.; Banjac, Nebojsa R.; Dojcinovic, Biljana; Wessjohann, Ludger A.; Kaluderovic, Goran N..

The synthesis of novel triphenyltin(IV) compounds, Ph3SnLn (n = 1-3), with oxaprozin (3-(4,5-diphenyloxazol-2-yl)propanoic acid), HL1, and the new propanoic acid derivatives 3-(4,5-bis(4-methoxylphenyl)oxazol-2-yl)propanoic acid, HL2, and 3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanoic acid, HL3, has been performed. The ligands represent com. drugs or their derivatives and the tin complexes have been characterized by standard anal. methods. The in vitro antiproliferative activity of both ligands and organotin(IV) compounds has been evaluated on the following tumor cell lines: human prostate cancer (PC-3), human colorectal adenocarcinoma (HT-29), breast cancer (MCF-7), and hepatocellular cancer (HepG2), as well as on normal mouse embryonic fibroblast cells (NIH3T3) with the aid of MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-12 diphenyltetrazolium bromide) and CV (crystal violet) assays. Contrary to the inactive ligand precursors, all organotin(IV) carboxylates showed very good activity with IC50 values ranging from 0.100 to 0.758 μM. According to the CV assay (IC50 = 0.218 ± 0.025 μM), complex Ph3SnL1 demonstrated the highest cytotoxicity against the caspase 3 deficient MCF-7 cell line. Inductively coupled plasma mass spectrometry (ICP-MS) anal. indicated a two-fold lower concentration of tin in MCF-7 cells in comparison to platinum. To investigate the mechanism of action of the compound Ph3SnL1 on MCF-7 cells, morphol., autophagy and cell cycle anal., as well as the activation of caspase and ROS/RNS and NO production, has been performed. Results suggest that Ph3SnL1 induces caspase-independent apoptosis in MCF-7 cells.

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Reference:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem