Month: October 2022

The author of 《Vanadium-Catalyzed Coupling of Allenols with Electrophilic Halide Sources for the Formation of α-Halo-α’,β’-unsaturated Ketones》 were Trost, Barry M.; Tracy, Jacob S.; Yusoontorn, Tas. And the article was published in Organic Letters in 2019. Product Details of 78191-00-1 The author mentioned the following in the article:

In the presence of tris(triarylsiloxy)oxovanadium complexes, allenyl alcs. such as PhCH(OH)CH:C:CHMe underwent chemoselective and diastereoselective fluorination, chlorination, and bromination (coupling reactions) with electrophilic halogen sources to yield α’-halo-α,β-unsaturated ketones such as (E)-PhCH:CHCOCHRMe (R = F, Cl, Br)(I) as single olefin diastereomers. Nucleophilic substitution reactions of I (R = Br) yielded I (R = N3, NC, PhS, I).N-Methoxy-N-methylacetamide(cas: 78191-00-1Product Details of 78191-00-1) was used in this study.

N-Methoxy-N-methylacetamide(cas: 78191-00-1) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Product Details of 78191-00-1

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Ingham, Aidan; Kostelnik, Thomas I.; McNeil, Brooke L.; Patrick, Brian O.; Choudhary, Neha; Jaraquemada-Pelaez, Maria de Guadalupe; Orvig, Chris published their research in Dalton Transactions in 2021. The article was titled 《Getting a lead on Pb2+-amide chelators for 203/212Pb radiopharmaceuticals》.Computed Properties of C2H4BrNO The article contains the following contents:

Amide-based chelators DTPAm, EGTAm and ampam were synthesized to investigate which chelator most ideally coordinates [nat/203Pb]Pb2+ ions for potential radiopharmaceutical applications. 1H NMR spectroscopy was used to study each metal-ligand complex in the solution state. The 1H NMR spectrum of [Pb(DTPAm)]2+ revealed minimal isomerization and fluxional behavior compared to [Pb(EGTAm)]2+ and [Pb(ampam)]2+, both of which showed fewer spectral changes indicative of less static behavior. The solid-state coordination properties of each complex were also examined from single crystal structures that were studied by X-ray diffraction (XRD). In the solid-state, octadentate DTPAm coordinated Pb2+ to form an eight-coordinate hemidirected complex; octadentate EGTAm coordinated Pb2+ forming a ten-coordinate holodirected complex with a bidentate NO3- ion also coordinated to the metal center; decadentate ampam completely encapsulated the Pb2+ ion to form a ten-coordinate holodirected complex with a C2 axis of symmetry. Potentiometric titrations were carried out to assess the thermodn. stability of each metal-ligand complex. The pM values obtained for [Pb(DTPAm)]2+, [Pb(EGTAm)]2+ and [Pb(ampam)]2+ were 9.7, 7.2 and 10.2, resp. The affinity of each chelator for Pb2+ ions was tested by [203Pb]Pb2+ radiolabeling studies to evaluate their prospects as chelators for [203/212Pb]Pb2+-based radiopharmaceuticals. DTPAm radiolabeled [203Pb]Pb2+ ions achieving molar activities as high as 3.5 MBq μmol-1 within 15 min, at 25°C, whereas EGTAm and ampam produced lower molar activities of 0.25 MBq μmol-1 within 30 min, at 37°C. EGTAm and ampam were therefore deemed unsuitable for [203/212Pb]Pb2+-based radiopharmaceutical applications, while DTPAm warrants further studies. In the part of experimental materials, we found many familiar compounds, such as 2-Bromoacetamide(cas: 683-57-8Computed Properties of C2H4BrNO)

2-Bromoacetamide(cas: 683-57-8) can be used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.Computed Properties of C2H4BrNO

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

In 2022,Ingham, Aidan; Wharton, Luke; El Sayed, Tarek; Southcott, Lily; McNeil, Brooke L.; Ezhova, Maria B.; Patrick, Brian O.; Jaraquemada-Pelaez, Maria de Guadalupe; Orvig, Chris published an article in Inorganic Chemistry. The title of the article was 《H2ampa-Versatile Chelator for [203Pb]Pb2+, [213Bi]Bi3+, and [225Ac]Ac3+》.Recommanded Product: 683-57-8 The author mentioned the following in the article:

A new decadentate chelator, H2ampa, was designed to be a potential radiopharmaceutical chelator component. The chelator involves both amide and picolinate functional groups on a large non-macrocyclic, ether-bridged backbone. With its large scaffold, H2ampa was paired with [nat/203Pb]Pb2+, [nat/213Bi]Bi3+, and natLa3+/[225Ac]Ac3+ ions. NMR spectroscopy and high-resolution mass spectrometry were used to study the non-radioactive metal complexes. A single crystal of [Bi(ampa)](NO3) was obtained; its asym., 10-coordinate complex structure was revealed by X-ray diffraction. Optimal conformations of the metal complexes were assessed by d. functional theory studies to provide further structural information. Solution studies providing thermodn. insights into metal complex formation revealed H2ampa coordinated Bi3+, Pb2+, and La3+ ions to obtain pM values of 26, 14.8, and 15.1, resp. Preliminary concentration-dependent radiolabeling experiments were carried out between H2ampa and three different radiometals to evaluate their compatibility for radiopharmaceutical applications. The chelator radiolabeled [203Pb]Pb2+, [213Bi]Bi3+, and [225Ac]Ac3+ in short reaction times (7-30 min), at dilute concentrations, and under mild conditions. Thus, H2ampa was proven to be a versatile chelator able to well coordinate a small range of radiometals frequently considered to be alpha therapeutic candidates.2-Bromoacetamide(cas: 683-57-8Recommanded Product: 683-57-8) was used in this study.

2-Bromoacetamide(cas: 683-57-8) can be used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.Recommanded Product: 683-57-8

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

In 2022,Jaskolski, Mariusz; Wlodawer, Alexander; Dauter, Zbigniew; Minor, Wladek; Rupp, Bernhard published an article in Protein Science. The title of the article was 《Group depositions to the Protein Data Bank need adequate presentation and different archiving protocol》.Electric Literature of C7H9NO2S The author mentioned the following in the article:

A polemic in response to Berman H et al is given. Accurate exptl. determined structure models of biol. macromols. are used by a large and diverse community of researchers. It is an established practice to base the assessment of the structure model quality on both, expectations of correct stereochem. and, most importantly, on examination of the model’s fit to the primary exptl. evidence. In the case of Xray crystallog., the primary evidence is provided by the electron d. map. In the part of experimental materials, we found many familiar compounds, such as 4-Methylbenzenesulfonamide(cas: 70-55-3Electric Literature of C7H9NO2S)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Electric Literature of C7H9NO2S

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Formula: C4H9NO2In 2020 ,《Design, synthesis, antitumor activity and theoretical calculation of novel PI3Ka inhibitors》 appeared in Bioorganic Chemistry. The author of the article were Jin, Ru-Yi; Tang, Tian; Zhou, Sha; Long, Xu; Guo, Hui; Zhou, Jing; Yan, Hao; Li, Zhi; Zuo, Zheng-Yu; Xie, Hong-Lei; Tang, Yu-Ping. The article conveys some information:

PI3Kα has been identified as an ideal target to treat with PIK3CA gene mutation disease, including drugs such as Alpelisib and Copanlisib. Five purine analogs and four thiazole analogs were designed and synthesized. Their enzymic activity against PI3Ka/β/γ/δ were tested, resp. All compounds showed excellent selectivity in modulating PI3Ka activity, and parts of the compounds showed good inhibition. Meanwhile, Autodock 4.2 was used to explore the binding mode of I (X = CH2), the most potent compound, with the target protein. In addition, DFT was used to calculate the HOMO-LUMO maps of the compounds I (X = CH2, O)and pos. control. This paper will provide some useful information for further drug design of PI3Kα inhibitors. In addition to this study using N-Methoxy-N-methylacetamide, there are many other studies that have used N-Methoxy-N-methylacetamide(cas: 78191-00-1Formula: C4H9NO2) was used in this study.

N-Methoxy-N-methylacetamide(cas: 78191-00-1) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Formula: C4H9NO2

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Application of 70-55-3In 2019 ,《A Practical Method for the Preparation of Sulfonyl Chlorides and Sulfonamides from Thiols using H2O2-TAPC Reagent System》 was published in ChemistrySelect. The article was written by Parnian, Rouhallah; Soleimani, Ebrahim; Bahrami, Kiumars. The article contains the following contents:

H2O2 in the presence of TAPC (1,3,5-triazo-2,4,6-triphosphorine-2,2,4,4,6,6-chloride) as an effective and chemoselective reagent system was described for the direct conversion of thiols to sulfonyl chlorides. Upon reaction with amines, the desired sulfonamides were produced in excellent yields and in short reaction times. Mild conditions, metal-free process, and excellent selectivity are some of the advantages of this method. In addition to this study using 4-Methylbenzenesulfonamide, there are many other studies that have used 4-Methylbenzenesulfonamide(cas: 70-55-3Application of 70-55-3) was used in this study.

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Application of 70-55-3

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

《Fully productive cell-free genetic code expansion by structure-based engineering of Methanomethylophilus alvus pyrrolysyl-tRNA synthetase》 was written by Seki, Eiko; Yanagisawa, Tatsuo; Kuratani, Mitsuo; Sakamoto, Kensaku; Yokoyama, Shigeyuki. Computed Properties of C11H22N2O4 And the article was included in ACS Synthetic Biology on April 17 ,2020. The article conveys some information:

Pyrrolysyl-tRNA synthetase (PylRS)/tRNAPyl pairs from Methanosarcina mazei and Methanosarcina barkeri are widely used for site-specific incorporations of non-canonical amino acids into proteins (genetic code expansion). In this study, we achieved the full productivity of cell-free protein synthesis for difficult, bulky non-canonical amino acids, such as Nε-((((E)-cyclooct-2-en-1-yl)oxy)carbonyl)-L-lysine (TCO*Lys), by using Methanomethylophilus alvus PylRS. First, based on the crystal structure of M. alvus PylRS, the productivities for various non-canonical amino acids were greatly increased by rational engineering of the amino acid-binding pocket. The productivities were further enhanced by using a much higher concentration of PylRS over that of M. mazei PylRS, or by mutating the outer layer of the amino acid-binding pocket. Thus, we achieved full productivity even for TCO*Lys. The quantity and quality of the cell-free-produced antibody fragment containing TCO*Lys were drastically improved. These results demonstrate the importance of full productivity for the expanded genetic code. The experimental part of the paper was very detailed, including the reaction process of H-Lys(Boc)-OH(cas: 2418-95-3Computed Properties of C11H22N2O4)

H-Lys(Boc)-OH(cas: 2418-95-3) belongs to amino acids. Amino acids are not generally considered to be electrochemically active because products of the oxidation accumulate on the electrode surface and prevent it from participating in any further electrochemical processes.Computed Properties of C11H22N2O4

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

《Novel primary amide-based cationic metal complexes: green synthesis, crystal structures, Hirshfeld surface analysis and solvent-free cyanosilylation reaction》 was written by Markad, Datta; Khullar, Sadhika; Mandal, Sanjay K.. SDS of cas: 683-57-8This research focused ontransition metal bispyridinylmethyldiacetamideethylene complex preparation thermal stability; crystal structure transition metal bispyridinylmethyldiacetamideethylene complex. The article conveys some information:

A new sym. and flexible primary amide functionalized ligand, 2,2′-(ethane-1,2-diylbis((pyridin-2-ylmethyl)azanediyl))diacetamide (2-BPEG), was synthesized and structurally characterized. Using this multidentate ligand, four novel metal complexes, [Cu(2-BPEG)](ClO4)2·0.5H2O (1), [Zn(2-BPEG)](ClO4)2 (2), [Zn(2-BPEG)](ZnCl4)·H2O (3) and [Cd(2-BPEG)(H2O)](ClO4)2·H2O (4), were synthesized under ambient conditions and characterized by elemental, spectroscopic and thermal anal., and single and powder x-ray diffraction. Complexes 1-3 are hexacoordinated with an N4O2 donor set (provided by the hexadentate 2-BPEG ligand), while complex 4 is heptacoordinated with an addnl. coordinated water mol. In all cases, the 2-BPEG ligand acts as a hexadentate ligand. A change in the starting metal salt gave 2 and 3 with different tetrahedral anions, ClO4- and ZnCl4-, resp. This provided an opportunity to showcase anion-directed supramol. networks for these compounds Compounds 1, 2 and 4 with perchlorate anions show similar and comparable intermol. interactions in their 3-dimensional networks. However, the supramol. self-assembly of 3 is dominated by a variety of intermol. interactions such as C-H···Cl, N-H···Cl, O-H···Cl and C-H···O due to the presence of a tetrachlorozincate(II) ion. Also, the role of weak intermol. interactions in the crystal packing was analyzed and quantified using Hirshfeld surface anal. Also, compound 4 exhibiting an open Lewis acid site is a very efficient and recyclable heterogeneous catalyst for the solvent-free cyanosilylation of various aldehydes with trimethylsilyl cyanide (TMSCN) producing the corresponding trimethylsilyl ether in high yields. After reading the article, we found that the author used 2-Bromoacetamide(cas: 683-57-8SDS of cas: 683-57-8)

2-Bromoacetamide(cas: 683-57-8) can be used in preparation of (2-carbamoylmethoxy-5-chloro-benzyl)-carbamic acid tert-butyl ester. It was aslo used as precursor to dehydropeptidase I inactivator.SDS of cas: 683-57-8

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Computed Properties of C16H20N2O2On March 22, 1993, Young, Stephen W.; Poole, Robert C.; Hudson, Alan T.; Halestrap, Andrew P.; Denton, Richard M.; Tavare, Jeremy M. published an article in FEBS Letters. The article was 《Effects of tyrosine kinase inhibitors on protein kinase-independent systems. [Erratum to document cited in CA119(1):3745h]》. The article mentions the following:

The omission of the title and legend to Table I has been corrected The error was not reflected in the abstract or the index entries. In the part of experimental materials, we found many familiar compounds, such as 2-Cyano-3-(4-hydroxy-3,5-diisopropylphenyl)acrylamide(cas: 106392-48-7Computed Properties of C16H20N2O2)

2-Cyano-3-(4-hydroxy-3,5-diisopropylphenyl)acrylamide(cas: 106392-48-7) belongs to amides.Computed Properties of C16H20N2O2 Amides include many other important biological compounds, as well as many drugs like paracetamol, penicillin and LSD. Low-molecular-weight amides, such as dimethylformamide, are common solvents.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics

Formula: C11H22N2O4On October 16, 2020 ,《Thermophilic pyrrolysyl-tRNA synthetase mutants for enhanced mammalian genetic code expansion》 was published in ACS Synthetic Biology. The article was written by Hu, Liming; Qin, Xuewen; Huang, Yujia; Cao, Wenbing; Wang, Chuchen; Wang, Yong; Ling, Xinyu; Chen, Heqi; Wu, Dan; Lin, Yu; Liu, Tao. The article contains the following contents:

Genetic code expansion (GCE) is a powerful technique for site-specific incorporation of noncanonical amino acids (ncAAs) into proteins in living cells, which is achieved through evolved aminoacyl-tRNA synthetase mutants. Stability is important for promoting enzyme evolution, and we found that many of the evolved synthetase mutants have reduced thermostabilities. In this study, we characterized two novel pyrrolysyl-tRNA synthetases (PylRSs) derived from thermophilic archaea: Methanosarcina thermophila (Mt) and Methanosarcina flavescens (Mf). Further study demonstrated that the wild-type PylRSs and several mutants were orthogonal and active in both Escherichia coli and mammalian cells and could thus be used for GCE. Compared with the commonly used M. barkeri PylRS, the wild-type thermophilic PylRSs displayed reduced GCE efficiency; however, some of the mutants, as well as some chimeras, outperformed their mesophilic counterparts in mammalian cell culture at 37°C. Their better performance could at least partially be attributed to the fact that these thermophilic synthetases exhibit a threshold of enhanced stability against destabilizing mutations to accommodate structurally diverse substrate analogs. These were indicated by the higher melting temperatures (by 3-6°C) and the higher expression levels that were typically observed for the MtPylRS and MfPylRS mutants relative to the Mb equivalent Using histone H3 as an example, we demonstrated that one of the thermophilic synthetase mutants promoted the incorporation of multiple acetyl-lysine residues in mammalian cells. The enzymes developed in this study add to the PylRS toolbox and provide potentially better scaffolds for PylRS engineering and evolution, which will be necessary to meet the increasing demands for expanded substrate repertoire with better efficiency and specificity in mammalian systems. In the experiment, the researchers used H-Lys(Boc)-OH(cas: 2418-95-3Formula: C11H22N2O4)

H-Lys(Boc)-OH(cas: 2418-95-3) belongs to amino acids. These amino acids may be present in low concentrations and play a vital part as an intermediate in a biosynthetic pathway, e.g., ornithine, homoserine, or cystathionine. In contrast they may act as a major storage form of nitrogen, e.g., canavanine in the seed of Canavalia ensiformis, or may be formed in high amounts in response to an external stress, e.g., γ-aminobutyrate.Formula: C11H22N2O4 It is possible that some of these nonprotein amino acids may serve as insecticidal or fungicidal agents.

Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics