Month: December 2021

An article Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19 WOS:000592734300030 published article about CYSTEINE PROTEASE; ALDEHYDE INHIBITORS; IN-VITRO; BIOLOGICAL EVALUATION; ANTIVIRAL ACTIVITY; SARS-CORONAVIRUS; FORMAZAN ASSAY; DESIGN; AG7088; PAPAIN in [Hoffman, Robert L.; Kania, Robert S.; Brothers, Mary A.; Davies, Jay F.; Ferre, Rose A.; Gajiwala, Ketan S.; He, Mingying; Kozminski, Kirk; Li, Lilian Y.; Lockner, Jonathan W.; Lou, Jihong; Marra, Michelle T.; Mitchell, Lennert J., Jr.; Murray, Brion W.; Nieman, James A.; Noell, Stephen; Planken, Simon P.; Ryan, Kevin; Smith, George J., III; Solowiej, James E.; Steppan, Claire M.] Pfizer Worldwide Res & Dev, San Diego, CA 92121 USA; [Hogan, Robert J.; Rowe, Thomas; Taggart, Barbara] Southern Res Inst, Birmingham, AL 35205 USA in 2020, Cited 45. Quality Control of 2,6-Difluorobenzoic acid. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2

The novel coronavirus disease COVID-19 that emerged in 2019 is caused by the virus SARS CoV-2 and named for its close genetic similarity to SARS CoV-1 that caused severe acute respiratory syndrome (SARS) in 2002. Both SARS coronavirus genomes encode two overlapping large polyproteins, which are cleaved at specific sites by a 3C-like cysteine protease (3CL(pro)) in a post-translational processing step that is critical for coronavirus replication. The 3CL(pro) sequences for CoV-1 and CoV-2 viruses are 100% identical in the catalytic domain that carries out protein cleavage. A research effort that focused on the discovery of reversible and irreversible ketone-based inhibitors of SARS CoV-1 3CL(pro) employing ligand-protease structures solved by X-ray crystallography led to the identification of 3 and 4. Preclinical experiments reveal 4 (PF-00835231) as a potent inhibitor of CoV-2 3CL(pro) with suitable pharmaceutical properties to warrant further development as an intravenous treatment for COVID-19.

Quality Control of 2,6-Difluorobenzoic acid. Welcome to talk about 385-00-2, If you have any questions, you can contact Hoffman, RL; Kania, RS; Brothers, MA; Davies, JF; Ferre, RA; Gajiwala, KS; He, MY; Hogan, RJ; Kozminski, K; Li, LLY; Lockner, JW; Lou, JH; Marra, MT; Mitchell, LJ; Murray, BW; Nieman, JA; Noell, S; Planken, SP; Rowe, T; Ryan, K; Smith, GJ; Solowiej, JE; Steppan, CM; Taggart, B or send Email.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Zhou, JY; Tao, SW; Liu, RQ; Zhu, YM in [Zhou, Jing-Ya; Tao, Shou-Wei; Liu, Rui-Qing; Zhu, Yong-Ming] Soochow Univ, Coll Pharmaceut Sci, Suzhou 215123, Peoples R China published Forging C-S Bonds through Nickel-Catalyzed Aryl Anhydrides with Thiophenols: Decarbonylation or Decarbonylation Accompanied by Decarboxylation in 2019, Cited 46. Name: Benzoic anhydride. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0.

A nickel-catalyzed decarbonylation or decarbonylation accompanied by decarboxylation cross-coupling reaction of aryl anhydrides with thiophenols as coupling partners was disclosed. This method is promoted by a commercially available, moisture-stable, and inexpensive nickel(II) precatalyst. The process can tolerate a variety of functional groups using ubiquitous aryl anhydrides as cross-coupling precursors to produce thioethers in moderate to excellent yields.

Name: Benzoic anhydride. Welcome to talk about 93-97-0, If you have any questions, you can contact Zhou, JY; Tao, SW; Liu, RQ; Zhu, YM or send Email.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Category: isothiazole. Recently I am researching about METAL-FREE; COUPLING REACTIONS; C-H; DIFUNCTIONALIZATION; CARBON; RADICALS; KETONES; ESTERS; CARBONYLATION; DERIVATIVES, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21801214, 21572126]. Published in GEORG THIEME VERLAG KG in STUTTGART ,Authors: Chen, RX; Chen, W; Shen, YT; Wang, ZY; Dai, W; Wang, KK; Liu, LT. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

An efficient synthesis of tert -butyl peroxides through TBAI-promoted acyloxylation-peroxidation of alkenes by using a carboxylic acid and tert -butyl hydroperoxide was developed. The synthetic utility of our method is enhanced by simple manipulations, easily available starting materials, and a wide substrate scope.

Category: isothiazole. Welcome to talk about 99-04-7, If you have any questions, you can contact Chen, RX; Chen, W; Shen, YT; Wang, ZY; Dai, W; Wang, KK; Liu, LT or send Email.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Hou, GL; Valiev, M; Wang, XB in [Hou, Gao-Lei; Wang, Xue-Bin] Pacific Northwest Natl Lab, Phys Sci Div, 902 Battelle Blvd,POB 999,MS K8-88, Richland, WA 99352 USA; [Valiev, Marat] Pacific Northwest Natl Lab, Environm Mol Sci Lab, POB 999, Richland, WA 99352 USA published Sulfuric acid and aromatic carboxylate clusters H2SO4 center dot ArCOO-: Structures, properties, and their relevance to the initial aerosol nucleation in 2019, Cited 69. Name: 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Sulfuric acid and aromatic compounds are abundant in the atmosphere and play an important role in aerosol nucleation and growth. The main objective of this work is to provide molecular level description of pre-nucleation clusters formed by these species. Our approach is based on size- and compositionselective generation of anionic clusters, consisting of sulfuric acid and series of aromatic carboxylates (ArCOO-; Ar =Phenyl, o-, m-, and p-CH3C6H4 ), and their subsequent characterization using photoelectron spectroscopy and quantum chemical calculations. The photoelectron spectra show that formation of these clusters is accompanied by a significant increase of electron binding energies, implying significant stabilization gained from electron delocalization upon complexation. Comparison between the experimental and calculated results suggests that under low temperature conditions these clusters behave more like a complex of sulfuric acid and aromatic carboxylate, (H2SO4)(ArCOO-), despite the fact that ArCOO- has much higher proton affinity than HSO4-. Similar result has been previously reported for sulfuric acid formate cluster [Hou, Wang, and Valiev, J. Am. Chem. Soc. 139 (2017) 11321-11324], and indicates that interaction energy gained though the formation of these clusters is sufficient to counteract proton affinity imbalance. The calculated intermolecular binding energies (BEs), Gibbs free energies (Delta G), and evaporation rates (gamma) show that these (H2SO4)(ArCOO- ) clusters are extremely stable, with BEs of similar to 54 kcal/mol, Delta G of similar to-40 kcal/mol, and gamma of 10(-20) s(-1) . The experimental and computational results reported in this work suggest that aromatic acids may play a significant role in facilitating the early stages of sulfuric acid nucleation. (C) 2019 Elsevier B.V. All rights reserved.

Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.. Name: 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Quality Control of 3-Methylbenzoic acid. I found the field of Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences very interesting. Saw the article Polar semivolatile organic compounds in biomass-burning emissions and their chemical transformations during aging in an oxidation flow reactor published in 2020, Reprint Addresses Samburova, V (corresponding author), Desert Res Inst, 2215 Raggio Pkwy, Reno, NV 89512 USA.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid.

Semivolatile organic compounds (SVOCs) emitted from open biomass burning (BB) can contribute to chemical and physical properties of atmospheric aerosols and also may cause adverse health effects. The polar fraction of SVOCs is a prominent part of BB organic aerosols, and thus it is important to characterize the chemical composition and reactivity of this fraction. In this study, globally and regionally important representative fuels (Alaskan peat, Moscow peat, Pskov peat, eucalyptus, Malaysian peat, and Malaysian agricultural peat) were burned under controlled conditions using the combustion chamber facility at the Desert Research Institute (DRI). Gas- and particle-phase biomass-burning emissions were aged in an oxidation flow reactor (OFR) to mimic 5-7 d of atmospheric aging. Fresh and OFR-aged biomass-burning aerosols were collected on Teflonimpregnated glass fiber filters (TIGF) in tandem with XAD resin media for organic carbon speciation. The polar fraction extracted with dichloromethane and acetone was analyzed with gas chromatography mass spectrometry (GC-MS) for 84 polar organic compounds – including mono- and dicarboxylic acids, methoxylated phenols, aromatic acids, anhydrosugars, resin acids, and sterols. For all these compounds, fuel-based emission factors (EFs) were calculated for fresh and OFR-aged samples. The carbon mass of the quantified polar compounds was found to constitute 5 % to 7 % of the total organic compound mass. A high abundance of methoxyphenols (239 mg kg(-1) for Pskov peat; 22.6 % of total GC-MS characterized mass) and resin acids (118 mg kg(-1) for Alaskan peat; 14.5 % of total GC-MS characterized mass) was found in peat-burning emissions (smoldering combustion). The concentration of some organic compounds (e.g., tetracosanoic acid) with a molecular weight (MW) above 350 g mol(-1) decreased after OFR aging, while abundances of low-MW compounds (e.g., hexanoic acid) increased. This indicated a significant extent of fragmentation reactions in the OFR. Methoxyphenols decreased after OFR aging, while a significant increase (3.7 to 8.6 times) in the abundance of dicarboxylic acids emission factors (EFs), especially maleic acid (10 to 60 times), was observed. EFs for fresh and ratios from fresh-to-aged BB samples reported in this study can be used to perform source apportionment and predict processes occurring during atmospheric transport.

Quality Control of 3-Methylbenzoic acid. Welcome to talk about 99-04-7, If you have any questions, you can contact Sengupta, D; Samburova, V; Bhattarai, C; Watts, AC; Moosmuller, H; Khlystov, AY or send Email.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Recommanded Product: 385-00-2. In 2020 BIOORG MED CHEM LETT published article about PROTEIN-PROTEIN INTERACTION; OXIDATIVE STRESS; DIMETHYL FUMARATE; KEAP1; INHIBITOR; DISCOVERY; BINDING in [Ma, Bin; Lucas, Brian; Capacci, Andrew; Lin, Edward Yin-Shiang; Jones, John Howard; Dechantsreiter, Michael; Enyedy, Istvan] Biogen, Med Chem, 225 Binney St, Cambridge, MA 02142 USA; [Marcotte, Douglas] Biogen, Biophys, 225 Binney St, Cambridge, MA 02142 USA; [Xiao, Guangqing] Biogen, Drug Metab & Pharmacokinet, 225 Binney St, Cambridge, MA 02142 USA; [Li, Bing; Richter, Karl] Biogen, Res & Early Dev, 225 Binney St, Cambridge, MA 02142 USA; [Lucas, Brian] Skyhawk Therapeut, Waltham, MA 02451 USA; [Xiao, Guangqing] Sunov Pharmaceut, Marlborough, MA 01752 USA in 2020, Cited 23. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2.

Nrf2 is a transcription factor regulating expression of the Phase II Antioxidant Response and plays an important role in neuroprotection and detoxification. Nrf2 activation is inhibited by interaction with Keap1. Covalent Keap1 inhibitors such as dimethyl fumarate (DMF) and RTA-408 are either on the market or in late stage clinical trials which implies potential benefit of Nrf2 activation. Activation of Nrf2 by disrupting Nrf2-Keap1 interaction through a non-covalent small molecule is an attractive approach with the promise of greater selectivity. However, there are no known non-covalent Nrf2 activators with acceptable pharmacokinetic properties to test the hypothesis in vivo. Based on our early reported work, using structural-based design, followed by extensive SAR exploration, we have identified a novel series of non-covalent Nrf2 activators, with sub-nanomolar binding affinity on Keap1 and single digit nanomolar activity in an astrocyte assay. A representative analog shows excellent oral PK and good Nrf2-dependent gene inductions in kidney. These results provide a peripheral in vivo tool compound to validate the biology of non-covalent activation of Nrf2.

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Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

SDS of cas: 1159408-61-3. Today I’d like to introduce a new chemical compound, CAS is 1159408-61-3, Name is 4-(((3R,5S)-1-(1-(((2R,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-16,16-bis((3-((3-(5-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pentanamido)propyl)amino)-3-oxopropoxy)methyl)-5,11,18-trioxo-14-oxa-6,10,17-triazanonacosan-29-oyl)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)pyrrolidin-3-yl)oxy)-4-oxobutanoic acid, Formula is C121H179N11O45, Molecular Weight is 2507.76g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.

The general reactant of this compound is 1-(Phenylmethyl) dodecanedioate;4,8-Dioxa-12,16-diazaheneicosanamide, 6-amino-11,17-dioxo-6-[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-N-[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]-21-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-, 2,2,2-trifluoroacetate (1:1), Reagents is Diisopropylethylamine, 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide, Catalyst(), Solvent is Dimethylformamide, Products 1646203-74-8, Yield: 74%, Synthetic Methods procedure :1. Add HBTU ( 3.28 g, 8.64 mmol ) and DIEA ( 4.10 mL, 23.58 mmol ) to a solution of dodecanoic acid monobenzyl ester ( 2.51 g, 7.86 mmol ) in DMF ( 80 mL ) and stir the resulting mixture for few minutes., 2. Add a solution of reactant ( 15 g, 5.24 mmol ) in DMF ( 20 mL ) and continue stirring at room temperature overnight., 3. Remove the solvents and volatiles under reduced pressure., 4. Dissolve the residue in DCM ( 200 mL ) , wash with saturated NaHCO3 ( 100 mL ) and water ( 100 mL ) ., 5. Dry over anhydrous Na2SO4, evaporate the solvent under reduced pressure., 6. Purify the residue by silica gel chromatography ( eluent: 3-15% MeOH in DCM ) ., Transfornation (Acylation of Nitrogen Nucleophiles by Carboxylic Acids. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 7.86–7.77 ( m, 6H, NH ) ; 7.72 ( t, J = 5.7 Hz, 3H, NH ) ; 7.39-7.28 ( m, 5H ) ; 6.97 ( s, 1H, NH ) ; 5.20 ( d, J = 3.4 Hz, 3H, sugar H4 ) ; 5.07 ( s, 2H ) ; 4.95 ( dd, J = 3.4, 11.2 Hz, 3H, sugar H3 ) ; 4.47 ( d, J = 8.5 Hz, 3H, sugar H1 ) ; 4.07–3.96 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.9, 11.2 Hz, 3H, sugar H 2 ) ; 3.69 ( dt, J = 5.9, 9.9 Hz, 3H ) ; 3.60-3.45 ( m, 12H ) ; 3.39 ( dt, J = 6.3, 9.9 Hz, 3H ) ; 3.08-2.95 ( m, 12H ) ; 2.32 ( t, J = 7.4 Hz, 2H ) ; 2.26 ( t, J = 6.3 Hz, 6H ) ; 2.09 ( s, 9H ) , 2.03 ( t, J = 7.0 Hz, 8H ) ; 1.98 ( s, 9H ) ; 1.88 ( s, 9H ) , 1.76 ( s, 9H ) ; 1.56–1.36 ( m, 22H ) ; 1.28–1.14 ( m, 12H ) ., Carbon-13 NMR : ( 126 MHz, DMSO-d 6 ) : δ 172.8, 172.5, 171.9, 170.1, 170.0, 169.9, 169.6, 169.4, 136.3, 128.4, 128.0, 127.9, 101.0, 70.5, 69.8, 68.7, 68.3, 67.3, 66.7, 65.3, 61.4, 59.5, 49.4, 36.4, 36.3, 36.0, 35.9, 35.1, 33.5, 29.5, 28.9, 28.9, 28.8, 28.7, 28.6, 28.6, 28.4, 25.3, 24.5, 22.8, 21.9, 20.5, 20.5, 20.4., Mass Spectrum: MS calc. for C98H154N10O39: 2095.03; found: 2118.05 ( M+Na+, MALDI-TOF, matrix: HABA ) ., State is offwhite solid

SDS of cas: 1159408-61-3. I’m so glad you had the patience to read the whole article, if you want know more about 1159408-61-3, you can browse my other blog.

Reference:
CAS Reaction Number: 31-355-CAS-9994399,
,CAS Method Number: 3-614-CAS-3165786

An article i-Pr2NMgCl center dot LiCl Enables the Synthesis of Ketones by Direct Addition of Grignard Reagents to Carboxylate Anions WOS:000489200100047 published article about ONE-STEP SYNTHESIS; ONE-POT SYNTHESIS; N-C CLEAVAGE; ORGANOMETALLIC REAGENTS; EFFICIENT SYNTHESIS; CATALYZED SYNTHESIS; DIRECT CONVERSION; ACID-DERIVATIVES; CARBON-MONOXIDE; ACYL CHLORIDES in [Colas, Kilian; dos Santos, A. Catarina V. D.; Mendoza, Abraham] Stockholm Univ, Dept Organ Chem, Arrhenius Lab, S-10691 Stockholm, Sweden in 2019, Cited 82. Recommanded Product: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

The direct preparation of ketones from carboxylate anions is greatly limited by the required use of organolithium reagents or activated acyl sources that need to be independently prepared. Herein, a specific magnesium amide additive is used to activate and control the addition of more tolerant Grignard reagents to carboxylate anions. This strategy enables the modular synthesis of ketones from CO2 and the preparation of isotopically labeled pharmaceutical building blocks in a single operation.

Recommanded Product: 99-04-7. Bye, fridends, I hope you can learn more about C8H8O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Application In Synthesis of 1,3-Dimethoxybenzene. I found the field of Chemistry very interesting. Saw the article A Broad Substrate Scope of Aza-Friedel-Crafts Alkylation for the Synthesis of Quaternary alpha-Amino Esters published in 2020, Reprint Addresses Roche, SP (corresponding author), Florida Atlantic Univ, Dept Chem & Biochem, Boca Raton, FL 33431 USA.; Roche, SP (corresponding author), Florida Atlantic Univ, Ctr Mol Biol & Biotechnol, Jupiter, FL 33458 USA.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene.

A versatile synthetic protocol of aza-Friedel-Crafts alkylation has been developed for the synthesis of quaternary alpha-amino esters. This operationally simple alkylation proceeds under ambient conditions with high efficiency, regioselectivity, and an exceptionally broad scope of arene nucleophiles. A key feature of this alkylation is the role associated with the silver(I) salt counteranions liberated during the reaction. Taking advantage of a phase-transfer counteranion/Bronsted acid pair mechanism, we also report a catalytic enantioselective example of the reaction.

Welcome to talk about 151-10-0, If you have any questions, you can contact Zhao, GK; Samanta, SS; Michieletto, J; Roche, SP or send Email.. Application In Synthesis of 1,3-Dimethoxybenzene

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

SDS of cas: 93-02-7. Authors Gein, VL; Prudnikova, AN; Kurbatova, AA; Rudakova, IP in SPRINGER published article about in [Gein, V. L.; Prudnikova, A. N.; Kurbatova, A. A.; Rudakova, I. P.] Perm State Pharmaceut Acad, Minist Hlth Russian Federat, 2 Polevaya St, Perm 614990, Russia in 2021.0, Cited 14.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7

Aseries of dihydrotetrazolo[1,5-a]pyrimidine derivatives were synthesized via a three-component reaction of benzoylacetone with aromatic aldehydes and 5-aminotetrazole monohydrate. The obtained compounds were tested for analgesic activity using the acetic acid-induced writhing test. Their acute toxicities were determined. (7-Aryl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-6-yl)(phenyl)methanones were found to exhibit analgesic activity comparable to that of the reference drug metamizole sodium and were low-toxicity compounds. The obtained results were indicative of good prospects for further investigation of analgesic properties in this series of compounds.

Welcome to talk about 93-02-7, If you have any questions, you can contact Gein, VL; Prudnikova, AN; Kurbatova, AA; Rudakova, IP or send Email.. SDS of cas: 93-02-7

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com