Month: October 2022

On December 15, 2020, Teng, Yu; Li, Xinyu; Ren, Shengnan; Cheng, Yu; Xi, Kun; Shen, Hongtao; Ma, Wenzhuo; Luo, Guoshun; Xiang, Hua published an article.Quality Control of N-(3-Aminophenyl)acrylamide The title of the article was Discovery of novel quinazoline derivatives as potent PI3Kδ inhibitors with high selectivity. And the article contained the following:

Herein, a series of quinazoline derivatives I [R1 = Br, 3-pyridyl, (6-fluoro-3-pyridyl), (6-chloro-3-pyridyl), 3-quinolyl; R2 = vinyl, Et, HC=CH2CH3, C≡CCH3; R3 = H, Me] bearing acrylamide fragment were prepared using skeleton-deconstruction strategy. The preliminary bioactivity evaluation resulted in the discovery of lead compound I [R1 = 3-quinolyl; R2 = vinyl; R3 = Me]. Compound I [R1 = 3-quinolyl; R2 = vinyl; R3 = Me] exhibited excellent enzyme activity against PI3Kδ (IC50 = 27.5 nM) compared with BEZ235 as well as the significant anti-proliferation activities. With the high selectivity over other PI3K isoforms and potent effects on PI3K/Akt pathway, compoundI [R1 = 3-quinolyl; R2 = vinyl; R3 = Me] could be identified as a promising PI3Kδ inhibitor worthy of further profiling. The experimental process involved the reaction of N-(3-Aminophenyl)acrylamide(cas: 16230-24-3).Quality Control of N-(3-Aminophenyl)acrylamide

The Article related to quinazoline preparation pi3k delta inhibitor docking human, bromoquinazolinyl amino phenyl boric acid suzuki coupling catalyst palladium, boric acid bromoquinazolinyl oxy phenyl suzuki coupling catalyst palladium, quinolineboronic acid bromoquinazolinyl amino phenyl suzuki coupling catalyst palladium, b-cell malignancies, pi3kδ, quinazoline derivatives and other aspects.Quality Control of N-(3-Aminophenyl)acrylamide

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

On October 31, 2010, Fun, Hoong-Kun; Yeap, Chin Sing; Mange, Yatin; Isloor, Arun M.; Hegde, Chitrakar published an article.Application of 27115-50-0 The title of the article was N-[(4-Amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzamide. And the article contained the following:

In N-[(4-amino-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-methylbenzamide, C11H13N5OS, the dihedral angle between the triazole ring and the benzene ring is 84.21(7)°. The amino group adopts a pyramidal configuration. An intramol. N-H···O H bond stabilizes the mol. structure and generates an S(8) ring. In the crystal, mols. are linked by intermol. N-H···O, N-H···S, N-H···N and C-H···S H bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π-π stacking interactions [centroid-centroid distance = 3.3330(7) Å]. Crystallog. data are given. The experimental process involved the reaction of 2-(4-Methylbenzamido)acetic acid(cas: 27115-50-0).Application of 27115-50-0

The Article related to crystal structure aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, mol structure aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, hydrogen bond aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, pi stacking aminosulfanylidenedihydrotriazolylmethylmethylbenzamide, triazolylmethylmethylbenzamide aminosulfanylidenedihydro crystal mol structure and other aspects.Application of 27115-50-0

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

On March 15, 2021, Pinilla Pena, Diana C.; Ruiz Pereyra, Elba N.; Firpo, Guadalupe; Ceballos, Noelia M.; Fueloep, Ferenc; Szakonyi, Zsolt; Iriarte, Ana G.; Pelaez, Walter J. published an article.Electric Literature of 102-07-8 The title of the article was Flash Vacuum Pyrolysis (FVP) of cis-N-phenyl-hexahydro-2H-benzo[d][1,3]oxazin-2-imine and Thiazin-2-imine Derivatives. And the article contained the following:

Cis-N-phenyl-hexahydro-2H-benzo[d][1,3]oxazin-2-imines and cis-N-phenyl-hexahydro-2H-benzo[d][1,3]thiazin-2-imines I (R = H, Me, PhC2; X = O, S) were prepared and subjected to flash vacuum pyrolysis (FVP). N-H- and N-Me tetrahydrobenzoxazines reacted at lower temperatures than N-H and N-Me tetrahydrobenzothiazines, showing lower thermal stabilities, while the N-benzyl tetrahydrobenzothiazine was less stable than the N-benzyl tetrahydrobenzoxazine. Oxazines and thiazines yielded different products through homolytic fragmentations of the heterocycle moiety, the stability of which increased with the N- substitution. Based on the anal. of the reaction temperatures and the unraveling of the obtained products, it is proposed that any heterocyclic ring-opening reactions (initiated by X3-C4, C8a-N1, or C2-X3 bond rupture) require less energy than the retro-Diels-Alder process (RDA) that yields butadiene. This concerted reaction path is only achieved at temperatures higher than 470°C. Kinetic measurements reveal neg. entropies of activation, which suggest a partially concerted way of reaction or slightly asynchronous fragmentation processes, with higher energy of activation (Ea) values for the N-substituted derivatives compared to the unsubstituted ones. Exptl. results agree with calculations at the DFT level (B3LYP/6-311+G(d,p)) and M06-2X (6-311+G(d,p)) from Gaussian09 software. The experimental process involved the reaction of 1,3-Diphenylurea(cas: 102-07-8).Electric Literature of 102-07-8

The Article related to hydrobenzoxazinimine hydrobenzothiazinimine preparation flash vacuum photolysis fragmentation, thermal fragmentation mechanism hydrobenzoxazinimine hydrobenzothiazinimine, calculated transition state structure energy thermal fragmentation hydrobenzoxazinimine hydrobenzothiazinimine, dft method difference calculation transition state structure energy fragmentation and other aspects.Electric Literature of 102-07-8

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

Quality Control of H-Lys(Boc)-OHOn October 22, 2021 ,《Synthesis of poly-α/β-peptides with tunable sequence via the copolymerization on N-carboxyanhydride and N-thiocarboxyanhydride》 was published in iScience. The article was written by Zhou, Min; Zou, Jingcheng; Liu, Longqiang; Xiao, Ximian; Deng, Shuai; Wu, Yueming; Xie, Jiayang; Cong, Zihao; Ji, Zhemin; Liu, Runhui. The article contains the following contents:

The fascinating functions of proteins and peptides in biol. systems have attracted intense interest to explore their mimics using polymers, including polypeptides synthesized from polymerization The folding, structures and functions of proteins and polypeptides are largely dependent on their sequence. However, sequence-tunable polymerization for polypeptide synthesis is a long-lasting challenge. The application of polypeptides is also greatly hindered by their susceptibility to enzymic degradation Although poly-α/β-peptide has proven to be an effective strategy to address the stability issue, the synthesis of poly-α/β-peptide from polymerization is not available yet. Hereby, we demonstrate a living and controlled copolymerization on α-NCA and β-NTA to prepare sequence-tunable poly-α/β-peptides. This polymerization strategy shows a prominent solvent-driven characteristic, providing random-like copolymers of poly-α/β-peptides in THF and block-like copolymers of poly-α/β-peptides in a mixed solvent of CHCl3/H2O (95/5, volume/volume), and opens new avenues for sequence-tunable polymerization and enables facile synthesis of proteolysis tunable poly-α/β-peptides for diverse applications. The experimental process involved the reaction of H-Lys(Boc)-OH(cas: 2418-95-3Quality Control of H-Lys(Boc)-OH)

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.Quality Control of H-Lys(Boc)-OH 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

Reference of tert-Butyl N,N’-diisopropylcarbamimidateIn 2022 ,《New rhodamines with changeable Π-conjugation for lengthening fluorescence wavelengths and imaging peroxynitrite》 appeared in Chem. The author of the article were Zhang, Haolin; Xu, Yanhui; Li, Hongyu; Shi, Wen; Li, Xiaohua; Ma, Huimin. The article conveys some information:

Rhodamines, a group of excellent fluorophores, have been widely used to design various fluorescent probes; however, their maximum emission wavelengths are relatively short for bioimaging. Herein, we report a new kind of rhodamine derivatives characterized by the dibenzo[1,4]oxazepine core, which can selectively react with peroxynitrite (ONOO-), generating oxazines with much longer anal. wavelengths. These derivatives are readily synthesized in one step via a similar Stieglitz rearrangement; the presence of the 1,4-oxazepine ring is confirmed by single-crystal X-ray. Most importantly, the derivative (ON-RB) from rhodamine B, upon reaction with ONOO-, releases the oxazine moiety that emits in the near-IR wavelength region. Using ON-RB, we have monitored the generation of ONOO- in macrophage-derived foam cells, revealing that ONOO- might be formed mainly in lipid droplets. The new chem. of the dibenzo[1,4]oxazepine ring formation, together with its specific reaction with ONOO-, may provide a convenient strategy to develop rhodamine-based probes with longer wavelengths. The experimental process involved the reaction of tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8Reference of tert-Butyl N,N’-diisopropylcarbamimidate)

tert-Butyl N,N’-diisopropylcarbamimidate(cas: 71432-55-8) 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.Reference of tert-Butyl N,N’-diisopropylcarbamimidate

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

In 2022,Mutlu, Adem; Yesil, Tamer; Kymaz, Deniz; Zafer, Ceylan published an article in ACS Omega. The title of the article was 《Simultaneous optimization of charge transport properties in a triple-cation perovskite layer and triple-cation perovskite/Spiro-OMeTAD interface by dual passivation》.COA of Formula: C2H4BrNO The author mentioned the following in the article:

Mol. engineering of additives is a highly effective method to increase the efficiency of perovskite solar cells by reducing trap states and charge carrier barriers in bulk and on the thin film surface. In particular, the elimination of undercoordinated lead species that act as the nonradiative charge recombination center or contain defects that may limit interfacial charge transfer is critical for producing a highly efficient triple-cation perovskite solar cell. Here, 2-iodoacetamide (2I-Ac), 2-bromoacetamide (2Br-Ac), and 2-chloroacetamide (2Cl-Ac) mols., which can be coordinated with lead, have been used by adding them into a chlorobenzene antisolvent to eliminate the defects encountered in the triple-cation perovskite thin film. The passivation process has been carried out with the coordination between the oxygen anion (-) and the lead (+2) cation on the enolate mol., which is in the resonance structure of the mols. The Spiro-OMeTAD/triple-cation perovskite interface has been improved by surface passivation by releasing HX (X = I, Br) as a byproduct because of the separation of alpha hydrogen on the mol. As a result, a solar cell with a negligible hysteresis operating at 19.5% efficiency has been produced by using the 2Br-Ac mol., compared to the 17.6% efficiency of the reference cell. After reading the article, we found that the author used 2-Bromoacetamide(cas: 683-57-8COA of Formula: 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.COA of Formula: C2H4BrNO

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

《Synthesis, bioactivity, docking and molecular dynamics studies of furan-based peptides as 20s proteasome inhibitors》 was published in ChemMedChem in 2015. These research results belong to Sun, Qi; Xu, Bo; Niu, Yan; Xu, Fengrong; Liang, Lei; Wang, Chao; Yu, Jiapei; Yan, Gang; Wang, Wei; Jin, Hongwei; Xu, Ping. Related Products of 87694-50-6 The article mentions the following:

Proteasome inhibitors are promising compounds for a number of therapies, including cardiovascular and eye diseases, diabetes, and cancers. We previously reported a series of furan-based peptidic inhibitors with moderate potencies against the proteasome β5 subunit, hypothesizing that the C-terminal furyl ketone motif could form a covalent bond with the catalytic residue, threonine 1. In this context, we describe further optimizations of the furan-based peptides, and a series of dipeptidic and tripeptidic inhibitors were designed and synthesized, aiming at improved potency and better solubility Most of the tripeptidic inhibitors demonstrated improved potency and selectivity as β5 subunit inhibitors in both enzymic and cellular assays, and good antineoplastic activities in various tumor cell lines were also observed However, no inhibitory effects were observed for the dipeptidic compounds, which led us to presume that a noncovalent binding mode is adopted. Docking studies and mol. dynamics simulations were carried out to verify this presumption, with results showing that the distance between the furyl ketone motif and Thr1 is slightly too long to form covalent bond.(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6Related Products of 87694-50-6) was used in this study.

(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6) belongs to amides. Because of the greater electronegativity of oxygen, the carbonyl (C=O) is a stronger dipole than the N–C dipole. The presence of a C=O dipole and, to a lesser extent a N–C dipole, allows amides to act as H-bond acceptors.“,” In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well. Related Products of 87694-50-6

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

Khalaj, A.; Nahid, E. published their research in Synthesis on December 31 ,1985. The article was titled 《Synthesis of α-hydroxy carboxamides from acetonides of α-hydroxy carboxylic acids and primary amines》.SDS of cas: 4746-61-6 The article contains the following contents:

Acetonides I (R = H, Me, Ph; R1 = H, Ph) were treated with R2NH2 (R2 = Pr, Ph, 4-O2NC6H4, 2-pyridyl) to give 30-78% HOCRR1CONHR2 (13 compounds). The reactions were performed by heating in a H2O bath without solvent, in refluxing C6H6 or PhMe or in xylene in a sealed tube at 200°. The experimental process involved the reaction of 2-Hydroxy-N-phenylacetamide(cas: 4746-61-6SDS of cas: 4746-61-6)

2-Hydroxy-N-phenylacetamide(cas: 4746-61-6) belongs to amides. Because of the greater electronegativity of oxygen, the carbonyl (C=O) is a stronger dipole than the N–C dipole. The presence of a C=O dipole and, to a lesser extent a N–C dipole, allows amides to act as H-bond acceptors.SDS of cas: 4746-61-6 In primary and secondary amides, the presence of N–H dipoles allows amides to function as H-bond donors as well.

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

《Halogen Bond Induced Consecutive Csp3-H Aminations via Hydrogen Atom Transfer (HAT) Relay Strategy》 was published in Organic Letters in 2020. These research results belong to Wu, Fan; Ariyarathna, Jeewani P.; Kaur, Navdeep; Alom, Nur-E.; Kennell, Maureen L.; Bassiouni, Omar H.; Li, Wei. Computed Properties of C7H9NO2S The article mentions the following:

An uncommon use of halogen bonding to induce intermol. Csp3-H amination while enabling a HAT relay strategy to access privileged pyrrolidines I [R = Me, Et, 4-OMeC6H4; Ar = Ph, 4-FC6H4, 4-BrC6H4, etc.] directly from alkanes was disclosed. Mechanistic studies support the presence of multiple halogen bond interactions at distinct reaction stages. In the experimental materials used by the author, we found 4-Methylbenzenesulfonamide(cas: 70-55-3Computed Properties of C7H9NO2S)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Computed Properties of C7H9NO2S

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

Kiyosu, Yuuki; Tanaka, Shino; Okumura, Sota; Kiyokawa, Kensuke; Minakata, Satoshi published an article in 2021. The article was titled 《Synthesis of Fused Diaziridine Derivatives from Cyclic Secondary Amines by Utilizing N-Bromosulfonamide as an Aminating Reagent》, and you may find the article in Synthesis.Related Products of 70-55-3 The information in the text is summarized as follows:

The synthesis of a series of fused diaziridines such as I (Ts = 4-MeC6H4SO2) which are difficult to access by existing methods, was achieved by the reaction of cyclic secondary amines with p-toluenesulfonamide in the presence of N-bromosuccinimide (NBS) and a suitable base. This oxidation system enables the efficient in situ formation of the key intermediates, which are N-bromoamines (a precursor of cyclic imines) and N-bromosulfonamides. In addition, an alternative method using N-bromo-N-sodio-p-toluenesulfonamide (bromamine-T) in the presence of a catalytic amount of CF3CO2H for the synthesis of fused diaziridines is also reported. The experimental part of the paper was very detailed, including the reaction process of 4-Methylbenzenesulfonamide(cas: 70-55-3Related Products of 70-55-3)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Related Products of 70-55-3

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