Day: December 2, 2021

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.. Safety of 1159408-61-3

The general reactant of this compound is 1-[(3R,5S)-5-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-1-[1,12,19,25-tetraoxo-14,14-bis[[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]-29-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-16-oxa-13,20,24-triazanonacos-1-yl]-3-pyrrolidinyl] butanedioate;Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]；Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]；Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite], Reagents is Methylamine, Triethylamine trihydrofluoride, Catalyst(), Solvent is Pyridine；Water, Products RNA, (G-G-A-A-U-C-Um-Um-A-Um-A-Um-Um-Um-G-A-U-C-Cm-A-A), 3′-[O-[[(2S,4R)-1-[29-[[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-14,14-bis[[3-[[3-[[5-[[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-1-oxopentyl]amino]propyl]amino]-3-oxopropoxy]methyl]-1,12,19,25-tetraoxo-16-oxa-13,20,24-triazanonacos-1-yl]-4-hydroxy-2-pyrrolidinyl]methyl] hydrogen phosphorothioate], complex with RNA (Um-Um-G-G-A-U-Cm-A-A-A-Um-A-Um-A-A-G-A-Um-U-C-Cm-sp-Cm-sp-U) 3′-[O-[6-[2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-3-methyl-5-sulfo-1-(3-sulfopropyl)-3H-indolium-3-yl]-1-oxohexyl] hydrogen phosphorothioate], inner salt (1:1), Synthetic Methods procedure :1. Synthesize sense and antisense strands on an ABI synthesizer using commercially available 5′-O- ( 4, 4′-dimethoxytrityl ) -2′-deoxy-2′-fluoro-, 5′-O- ( 4, 4′-dimethoxytrityl ) -2′-O- ( tert-butyldimethylsilyl ) -, and 5′-O- ( 4, 4′-dimethoxytrityl ) -2′-O-methyl- 3′-O- ( 2-cyanoethyl-N, N-diisopropyl ) phosphoramidite monomers of uridine, 4-N-acetylcytidine, 6-N-benzoyladenosine, and 2-N-isobutyrylguanosine using standard solid-phase oligonucleotide synthesis and deprotection protocols., 2. Add phosphorothioate linkages by oxidation of phosphite utilizing 0.1 M DDTT in pyridine., 3. Treat the support with 40% aqueous methylamine at 45 °C for 1.5 hour., 4. Filter the suspension through a 0.2-μm filter to remove solid residues., 5. Vortex the combined filtrate with Et3N·3HF at 40 °C for 1 hour to remove tert-butyldimethylsilyl ( TBDMS ) protecting groups from the oligonucleotide., 6. Purify the ligand-conjugated and unconjugated oligonucleotides by anion-exchange high-performance liquid chromatography ( IEX-HPLC ) with TSK-Gel Super Q-5PW support using a linear gradient of 22-42% buffer B over 130 min with 50 ml/min flow rate., 7. Use buffer A as 0.02 M Na2HPO4 in 10% CH3CN ( pH 8.5 ) and buffer B as buffer A plus 1 M NaBr., 8. Combine the pure fractions, concentrate and desalt on a sartorius ultrafiltration station., 9. Confirm the integrities of the purified oligonucleotides by LC-MS and by analytical IEX HPLC., 10. Mix equimolar amounts of complementary sense and antisense strands, anneal by heating to 90 °C and cool slowly., Transfornation (.

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.. Safety of 1159408-61-3

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

Zhang, PL; Cheng, Q; Xu, WF; Tang, KW in [Zhang, Panliang; Cheng, Qing; Xu, Weifeng; Tang, Kewen] Hunan Inst Sci & Technol, Dept Chem & Chem Engn, Yueyang 414000, Hunan, Peoples R China published Modeling and optimization of lipase-catalyzed hydrolysis for production of (S)-2-phenylbutyric acid enhanced by hydroxyethyl-beta-cyclodextrin in 2019, Cited 44. Safety of 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

An efficient reactive system was established to produce (S)-2-phenylbutyric acid (2-PBA) through the enzymatic enantioselective hydrolysis of 2-phenylbutyrate ester (2-PBAE) in aqueous medium. Lipase CALA from Canadian antarctica and hexyl 2-phenylbutyrate (2-PBAHE) were identified upon screening as the best enzyme and substrate, respectively. Adding hydroxyethyl-beta-cyclodextrin (HE-beta-CD) to improve the solubility of the substrate resulted in a 1.5 times increase in substrate conversion while retaining a high enantioselectivity compared with that when HE-beta-CD was not added. The effects of lipase concentration, substrate concentration and HE-beta-CD concentration, temperature, pH, and reaction time on enantiomeric excess and conversion rate were investigated, and the optimal conditions were identified using response surface methodology (RSM). Under the optimal conditions, namely 50 mg/mL lipase CALA, 30 mmol/L substrate, 60 mmol/L HE-beta-CD, pH of 6.5, temperature of 83 degrees C and reaction time of 18 h, the enantiomeric excess and overall conversion rate were 96.05% and 27.28%, respectively. This work provides an efficient alternative method for improving the conversion of aromatic ester substrates by including beta-cyclodextrin in an aqueous hydrolysis reaction system.

Safety of 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

COA of Formula: C10H12O2. In 2019 J MOL STRUCT published article about FT-RAMAN; MOLECULAR DOCKING; CHEMICAL COMPUTATIONS; HOMO-LUMO; IR; DFT; NMR; UV; SPECTRA; DIMER in [Raajaraman, B. R.; Sheela, N. R.] Sri Venkateswara Coll Engn, Dept Appl Phys, Sriperumbudur 602117, Tamil Nadu, India; [Muthu, S.] Arignar Anna Govt Arts Coll, Dept Phys, Cheyyar 604407, Tamil Nadu, India in 2019, Cited 39. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

2-Phenylbutanoic acid (2PBA) and its functional derivatives 2-amino-2-Phynylbutanoic acid (2APBA), 2-hydroxy-2-Phenylbutanoic acid (2HPBA) and 2-methyl-2-phenylbutanoic acid (2MPBA) are analyzed by density functional theory (DFT) calculations at B3LYP level with basis set 6-311++G(d,p). Experimental studies like FT-IR, FT-Raman, and UV-Visible spectra are carried out and compared with the theoretical molecular geometry and vibrational frequencies. To study donor and acceptor interactions natural bond orbital (NBO) analysis were performed. The observed UV-Vis spectrum compared with the time-dependent TD-DFT analysis gives band gap energies, oscillator strength, and the absorption wavelengths of different molecules. The hyperpolarizability analysis shows that the nonlinear optical (NLO) properties of the 2PBA, 2APBA, 2HPBA and 2MPBA compounds. The visual bio-active areas of the molecule are estimated by Molecular electrostatic potential (MEP). The important thermodynamic properties like heat capacity, entropy, and enthalpy of the 2PBA, 2APBA, 2HPBA, and 2MPBA were calculated at different temperatures. Molecular docking methods were employed with 2PBA, 2APBA, 2HPBA and 2MPBA molecules with the same set of receptors (proteins) to find the best of four molecules for drug identification. (C) 2019 Elsevier B.V. All rights reserved.

COA of Formula: C10H12O2. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

HPLC of Formula: C10H12O2. In 2019 CHEM-EUR J published article about BOND FUNCTIONALIZATIONS; H/D EXCHANGE; DEUTERIUM; DRUG; OLEFINATION; METABOLISM; ACTIVATION; TRITIATION; COMPLEXES; DISCOVERY in [Bag, Sukdev; Sur, Aishanee; Bhowmick, Suman; Maiti, Debabrata] Indian Inst Technol, Dept Chem, Mumbai 400076, Maharashtra, India; [Petzold, Martin; Werz, Daniel B.] Tech Univ Carolo Wilhelmina Braunschweig, Inst Organ Chem, Hagenring 30, D-38106 Braunschweig, Germany in 2019, Cited 53. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7.

Deuterium-labeled compounds find wide applications in kinetic studies, and within the pharmaceutical industry. An easily removable pyrimidine-based auxiliary has been employed for the meta-C-H deuteration of arenes. The scope of this Pd-catalyzed deuteration using commercially available [D-1]- and [D-4]-acetic acid has been demonstrated by its application in phenylacetic acid and phenylmethanesulfonate derivatives. A detailed mechanistic study led us to explore the reversibility of the non-rate determining C-H activation step. The present study of meta-deuterium incorporation illustrates the template morphology in terms of selectivity. The applicability of this method has been demonstrated by the selective deuterium incorporation into various pharmaceuticals.

Welcome to talk about 90-27-7, If you have any questions, you can contact Bag, S; Petzold, M; Sur, A; Bhowmick, S; Werz, DB; Maiti, D or send Email.. HPLC of Formula: C10H12O2

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Synthesis and Biological Evaluation of New Benzylidenethiazolidine-2,4-dione Derivatives as 15-hydroxyprostaglandin Dehydrogenase Inhibitors to Control the Intracellular Levels of Prostaglandin E-2 for Wound Healing WOS:000474554400006 published article about FIBROBLAST; CHITOSAN in [Yu, Insun; Cho, Hoon] Chosun Univ, Dept Polymer Sci & Engn, Gwangju 501759, South Korea; [Choi, Dubok] BK Co Ltd, Biotechnol Lab, Jeonbuk 5703, South Korea; [Lee, Hee-Kyung] CHA Univ, Sch Business, Beauty & Cosmet Management, Seongnam 13488, South Korea in 2019, Cited 23. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7. Name: 2-Phenylbutanoic acid

A novel series of benzylidenethiazolidine-2,4-dione derivatives was synthesized and investigated for 15-hydroxyprostaglandin dehydrogenase (15-PGDH)-scavenging activity, PGE(2) release, and wound-healing activity. Among the tested derivatives, seven compounds (3, 9, 11, 12, 13, 14, and 25) resulted in a 50% inhibition of 15-PGDH at concentrations between 0.07 and 0.2 mu M and increased PGE(2) levels from 300 to over 600% in A549 cells treated with 5.0 and 10.0 mu M of the compounds for 12 h. A scratch wound-healing assay using HaCaT cell line was conducted to verify the effects of 10 mu M of these compounds on cell regeneration. The closure rate of the scratch wound healing showed that all compounds (3, 9, 11, 12, 13, 14, and 25) had greater wound regeneration effects than the cell growth factor, TGF-beta 1, which was used as the positive control. In particular, (Z)-N-benzyl-4-((2,4-dioxothiazolidin-5-ylidene)methyl)benzamide (compound 14) showed that the highest wound closure rate, which was 360%; this is about 3.6-fold higher than that of TGF-beta 1. Overall, these results show that compound 14 may be considered a promising candidate for the development of novel wound-healing agents.

Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.. Name: 2-Phenylbutanoic acid

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics

An article Photocarboxylation of Benzylic C-H Bonds WOS:000477787400010 published article about CARBON-DIOXIDE; VISIBLE-LIGHT; CATALYZED CARBOXYLATION; REDUCTION POTENTIALS; ALKENES; CO2; CARBONYLATION; RADICALS; HALIDES; SYSTEM in [Meng, Qing-Yuan; Schirmer, Tobias E.; Berger, Anna Lucia; Donabauer, Karsten; Koenig, Burkhard] Univ Regensburg, Inst Organ Chem, Fac Chem & Pharm, D-93040 Regensburg, Germany in 2019, Cited 58. Name: 2-Phenylbutanoic acid. The Name is 2-Phenylbutanoic acid. Through research, I have a further understanding and discovery of 90-27-7

The carboxylation of sp(3)-hybridized C-H bonds with CO2 is a challenging transformation. Herein, we report a visible-light-mediated carboxylation of benzylic C-H bonds with CO2 into 2-arylpropionic acids under metal-free conditions. Photo-oxidized triisopropylsilanethiol was used as the hydrogen atom transfer catalyst to afford a benzylic radical that accepts an electron from the reduced form of 2,3,4,6-tetra(9H-carbazol-9-yl)-5-(1-phenylethyl)benzonitrile generated in situ. The resulting benzylic carbanion reacts with CO2 to generate the corresponding carboxylic acid after protonation. The reaction proceeded without the addition of any sacrificial electron donor, electron acceptor or stoichiometric additives. Moderate to good yields of the desired products were obtained in a broad substrate scope. Several drugs were successfully synthesized using the novel strategy.

Name: 2-Phenylbutanoic acid. Bye, fridends, I hope you can learn more about C10H12O2, If you have any questions, you can browse other blog as well. See you lster.

Reference:
Benzisoxazole – Wikipedia,
,Benzisoxazole – an overview | ScienceDirect Topics