Month: October 2022

Computed Properties of C4H9NO2In 2016 ,《Screening of new antileukemic agents from essential oils of algae extracts and computational modeling of their interactions with intracellular signaling nodes》 was published in European Journal of Pharmaceutical Sciences. The article was written by Atasever-Arslan, Belkis; Yilancioglu, Kaan; Kalkan, Zeynep; Timucin, Ahmet Can; Gur, Hazal; Isik, Fatma Busra; Deniz, Emre; Erman, Batu; Cetiner, Selim. The article contains the following contents:

Microalgae are very rich in bioactive compounds, minerals, polysaccharides, poly-unsaturated fatty acids and vitamins, and these rich constituents make microalgae an important resource for the discovery of new bioactive compounds with applications in biotechnol. In this study, we studied the antileukemic activity of several chosen microalgae species at the mol. level and assessed their potential for drug development. Here we identified Stichococcus bacillaris, Phaeodactylum tricornutum, Microcystis aeruginosa and Nannochloropsis oculata microalgae extracts with possible antileukemic agent potentials. Specifically we studied the effects of these extracts on intracellular signal nodes and apoptotic pathways. We characterized the composition of essential oils of these fifteen different algae extracts using gas chromatog.-mass spectrometry (GC-MS). Finally, to identify potential mol. targets causing the phenotypic changes in leukemic cell lines, we docked a selected group of these essential oils to several key intracellular proteins. According to results of rank score algorithm, five of these essential oils analyzed might be considered as in silico plausible candidates to be used as antileukemic agents. The results came from multiple reactions, including the reaction of N-Methoxy-N-methylacetamide(cas: 78191-00-1Computed Properties of C4H9NO2)

N-Methoxy-N-methylacetamide(cas: 78191-00-1) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Computed Properties of C4H9NO2

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

《Mechanistic and biological characterisation of novel N5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania》 was written by Medeiros, Andrea; Benitez, Diego; Korn, Ricarda S.; Ferreira, Vinicius C.; Barrera, Exequiel; Carrion, Federico; Pritsch, Otto; Pantano, Sergio; Kunick, Conrad; de Oliveira, Camila I.; Orban, Oliver C. F.; Comini, Marcelo A.. Safety of 2-BromoacetamideThis research focused ontrypanothione synthetase inhibition binding mode mol interaction Leishmania; Leishmania; Paullone; inhibition mode; thiol; trypanothione synthetase. The article conveys some information:

Trypanothione synthetase (TryS) produces N1,N8-bis(glutathionyl)spermidine (or trypanothione) at the expense of ATP. Trypanothione is a metabolite unique and essential for survival and drug-resistance of trypanosomatid parasites. In this study, we report the mechanistic and biol. characterization of optimized N5-substituted paullone analogs with anti-TryS activity. Several of the new derivatives retained submicromolar IC50 against leishmanial TryS. The binding mode to TryS of the most potent paullones has been revealed by means of kinetic, biophys. and mol. modeling approaches. A subset of analogs showed an improved potency (EC50 0.5-10μM) and selectivity (20-35) against the clin. relevant stage of Leishmania braziliensis (mucocutaneous leishmaniasis) and L. infantum (visceral leishmaniasis). For a selected derivative, the mode of action involved intracellular depletion of trypanothione. Our findings shed light on the mol. interaction of TryS with rationally designed inhibitors and disclose a new set of compounds with on-target activity against different Leishmania species. In addition to this study using 2-Bromoacetamide, there are many other studies that have used 2-Bromoacetamide(cas: 683-57-8Safety of 2-Bromoacetamide) 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.Safety of 2-Bromoacetamide

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

Reference of (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamideOn May 31, 1994, Kaljuste, Kalle; Unden, Anders published an article in International Journal of Peptide & Protein Research. The article was 《A new general solid-phase method for the synthesis of backbone-to-backbone cyclized peptides》. The article mentions the following:

A model peptide with the sequences Ala-Pro-Lys(2ClZ)-Tyr(2BrZ) was synthesized on a 4-methylbenzhydryl amine (MBHA) polystyrene resin using conventional Boc/benzyl protective group strategy. The amino acid aldehyde Boc-valinal was coupled by reductive alkylation with NaCNBH3 in acidified DMF for 1 h. The secondary amine in the peptide-resin Boc-Valψ[CH2NH]Ala-Pro-Lys(2ClZ)-Tyr(2BrZ)-MBHA was reductively alkylated by 3(4-methylbenzylthio)propanal at 40° for 6 h, resulting the peptide-resin Boc-Valψ[CH2N(CH2CH2CH2S-pMeBzl)]Ala-Pro-Lys(2ClZ)-Tyr(2BrZ)-MBHA. After the removal of the Boc group the synthesis was continued employing the above-mentioned methods, which led to the resin-bound peptide Leuψ[CH2N(CH2CH2CH2S-pMeBzl)]Ser-Pro-Gly-Lys(2ClZ)-Valψ[CH2N(CH2CH2CH2S-pMeBzl)]Ala-Pro-Lys(2ClZ)-Tyr(2BrZ)-MBHA. The peptide was cleaved from the resin with hydrogen fluoride. Reversed-phase HPLC and plasma desorption mass spectrometry anal. showed that the expected peptide Leuψ[CH2N(CH2CH2CH2SH)]Ser-Pro-Gly-Lys-Valψ[CH2N(CH2CH2CH2SH)]Ala-Pro-Lys-Tyr-NH2 was obtained as the major product with low levels of side products. Intramol. oxidation of the thiols gave the backbone to backbone cyclized peptide I. In the experiment, the researchers used (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6Reference of (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide)

(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6) belongs to amides.Reference of (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide 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

Product Details of 87694-50-6On May 31, 2014, Schulz, Ingo; Engel, Claudia; Niestroj, Andre J.; Kehlen, Astrid; Rahfeld, Jens-Ulrich; Kleinschmidt, Martin; Lehmann, Karola; Rossner, Steffen; Demuth, Hans-Ulrich published an article in Biochimica et Biophysica Acta, Molecular Cell Research. The article was 《A non-canonical function of eukaryotic elongation factor 1A1: Regulation of interleukin-6 expression》. The article mentions the following:

Interleukin-6 is one of the most prominent triggers of inflammatory processes. We have shown recently that heteroarylketones (HAKs) interfere with stimulated interleukin-6 expression in astrocytes by suppression of STAT3 phosphorylation at serine 727. Surprisingly, this effect is not based on the inhibition of STAT3-relevant kinases. Therefore, we here used the structurally modified HAK compound biotin-HAK-3 in a reverse chem. approach to identify the relevant mol. target in UV-mediated crosslinking experiments Employing streptavidin-specific 2D-immunoblotting followed by mass spectrometry we identified nine proteins putatively interacting with biotin-HAK-3. After co-immunoprecipitation, co-immunofluorescence, surface plasmon resonance analyses and RNAi-mediated knock-down, the eukaryotic elongation factor 1A1 (eEF1A1) was verified as the relevant target of HAK bioactivity. EEF1A1 forms complexes with STAT3 and PKCδ, which are crucial for STAT3S727 phosphorylation and for NF-κB/STAT3-enhanced interleukin-6 expression. Furthermore, the intracellular HAK accumulation is strongly dependent on eEF1A1 expression. Taken together, the results reveal a novel mol. mechanism for a non-canonical role of eEF1A1 in signal transduction via direct modulation of kinase-dependent phosphorylation events. In the experimental materials used by the author, we found (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6Product Details of 87694-50-6)

(S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6) belongs to amides. The solubilities of amides and esters are roughly comparable. Typically amides are less soluble than comparable amines and carboxylic acids since these compounds can both donate and accept hydrogen bonds.Product Details of 87694-50-6

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

The author of 《Protein-protein inhibitor designed de novo to target the MEEVD region on the C-terminus of Hsp90 and block co-chaperone activity》 were Rahimi, Marwa N.; McAlpine, Shelli R.. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. HPLC of Formula: 2418-95-3 The author mentioned the following in the article:

Protein-protein interactions control all cellular functions. Presented is the 1st de novo designed protein-protein interaction inhibitor that targets the C-terminus of heat shock protein 90 (Hsp90) and blocks co-chaperones from binding. Compound LB76, which was created from an Hsp90 co-chaperone, selectively pulls down Hsp90 from cell lysates, binds to Hsp90’s C-terminal domain, and blocks the interactions between Hsp90 and TPR-containing co-chaperones. Through these interactions, LB76 inhibits the protein-folding function of Hsp90. Blocking these protein-protein interactions between Hsp90 and C-terminal co-chaperones regulate the cell’s entire protein-folding machinery. In the part of experimental materials, we found many familiar compounds, such as H-Lys(Boc)-OH(cas: 2418-95-3HPLC of Formula: 2418-95-3)

H-Lys(Boc)-OH(cas: 2418-95-3) belongs to amino acids. In addition to subunits of proteins, amino acids have many other functions as well, including osmoregulation (proline), neurotransmitters (gamma-aminobutyric acid), metabolic intermediates (ornithine and citrulline), and inhibitors (dehydroproline).HPLC of Formula: 2418-95-3

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

Vejdelek, Zdenek; Rajsner, Miroslav; Svatek, Emil; Holubek, Jiri; Protiva, Miroslav published their research in Collection of Czechoslovak Chemical Communications on December 31 ,1979. The article was titled 《Benzocycloheptenes and heterocyclic analogs as potential drugs. XIV. Synthesis of 7-chloro-5-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-2-(methylamino)-3H-1,4-benzodiazepine 4-oxide and of some related compounds》.Safety of 2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide The article contains the following contents:

The base-catalyzed condensation of 4-ClC6H4NO2 with 2-(cyanomethyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene afforded the 2,1-benzisoxazole derivative I, which was reduced with Fe in AcOH to the ketone II. Its oxime was treated with ClCH2COCl in AcOH and gave 6-chloro-2-(chloromethyl)-4-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)quinazoline 3-oxide. Treatment with MeNH2 in MeOH led to the substitution reaction with a simultaneous ring enlargement and the title compound III was formed. A similar reaction with 1-methylpiperazine proceeded without rearrangement resulting in the quinazoline derivative IV. III and IV were devoid of anticonvulsant activity. 7-Chloro-5-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one (mol. complex with II), 6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl 3′-(4-ethoxycarbonyl 4-phenylpiperidino)propyl ketone (an analog of pethidine devoid of analgetic activity), and intermediates useful in the synthesis of 5-(2-chlorophenyl)-7-ethyl-1,3-dihydrothieno[2,3-e]-1,4-diazepin-2-ones were also prepared In the experiment, the researchers used 2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide(cas: 50509-09-6Safety of 2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide)

2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide(cas: 50509-09-6) 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.Safety of 2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide

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

In 2016,Fernandez, Jorge; Chicharro, Jesus; Bueno, Jose M.; Lorenzo, Milagros published 《Isoxazole mediated synthesis of 4-(1H)pyridones: improved preparation of antimalarial candidate GSK932121》.Chemical Communications (Cambridge, United Kingdom) published the findings.Formula: C4H9NO2 The information in the text is summarized as follows:

A new synthesis of the antimalarial clin. candidate GSK932121 is described. This approach has two key reactions, the selective acylation of an unprotected 3-hydroxymethyl-5-Me isoxazole and the reductive N-O bond cleavage of the previously functionalized isoxazole derivative, to give the 4-(1H)pyridone ring present in the final structure. The complete synthesis consists of 5 steps (vs. 10 steps in previously published reports) and has enabled the preparation of the material in kilogram scale to support clin. studies. The experimental part of the paper was very detailed, including the reaction process of N-Methoxy-N-methylacetamide(cas: 78191-00-1Formula: C4H9NO2)

N-Methoxy-N-methylacetamide(cas: 78191-00-1) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.Formula: C4H9NO2

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

The author of 《Different Metal Aggregation in Copper Acetate Chain Coordination Polymers with Dipyridyl Tethers Bearing Hydrogen Bonding Capable Functional Groups》 were Uebler, Jacob W.; Stone, Brandon S.; LaDuca, Robert L.. And the article was published in Zeitschrift fuer Anorganische und Allgemeine Chemie in 2013. Recommanded Product: N-(Pyridin-4-yl)isonicotinamide The author mentioned the following in the article:

Hydrothermal synthesis has afforded a pair of divalent copper acetate coordination polymers containing either 4,4′-dipyridylamine (dpa) or 4-pyridylisonicotinamide (4-pina), both of which have H-bonding-capable central functional groups. X-ray crystallog. revealed that both exhibit a 1-dimensional chain structure. Use of the kinked tethering ligand dpa produced [Cu(OAc)2(dpa)]n (1), which possesses a simple chain based on dpa linkage of isolated Cu ions. However, employing the straighter amide ligand 4-pina generated {[Cu(OAc)2(4-pina)]·0.5H2O}n (2), which exhibits {Cu2O2} rhomboid dimers formed through bridging acetate ligands. Weak antiferromagnetic coupling [g = 1.984(3), J = -3.2(3) cm-1] was observed within the axial-equatorial bridged {Cu2O2} dimers in 2, with possible ferrimagnetism due to spin canting <11 K.N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3Recommanded Product: N-(Pyridin-4-yl)isonicotinamide) was used in this study.

N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3) 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.Recommanded Product: N-(Pyridin-4-yl)isonicotinamide 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

Trivella, Daniela B. B.; Pereira, Alban R.; Stein, Martin L.; Kasai, Yusuke; Byrum, Tara; Valeriote, Frederick A.; Tantillo, Dean J.; Groll, Michael; Gerwick, William H.; Moore, Bradley S. published an article in Chemistry & Biology (Oxford, United Kingdom). The title of the article was 《Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor》.Recommanded Product: (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide The author mentioned the following in the article:

Hydroamination reactions involving the addition of an amine to an inactivated alkene are entropically prohibited and require strong chem. catalysts. While this synthetic process is efficient at generating substituted amines, there is no equivalent in small mol.-mediated enzyme inhibition. We report an unusual mechanism of proteasome inhibition that involves a hydroamination reaction of alkene derivatives of the epoxyketone natural product carmaphycin. We show that the carmaphycin enone first forms a hemiketal intermediate with the catalytic Thr1 residue of the proteasome before cyclization by an unanticipated intramol. alkene hydroamination reaction, resulting in a stable six-membered morpholine ring. The carmaphycin enone electrophile, which does not undergo a 1,4-Michael addition as previously observed with vinyl sulfone and α,β-unsaturated amide-based inhibitors, is partially reversible and gives insight into the design of proteasome inhibitors for cancer chemotherapy. After reading the article, we found that the author used (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide(cas: 87694-50-6Recommanded Product: (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide)

(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. Recommanded Product: (S)-N-Methyl-N-methoxy-2-(tert-butoxycarbonylamino)-4-methylpentanamide

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

《Trace Analysis of 61 Emerging Br-, Cl-, and I-DBPs: New Methods to Achieve Part-Per-Trillion Quantification in Drinking Water》 was written by Cuthbertson, Amy A.; Liberatore, Hannah K.; Kimura, Susana Y.; Allen, Joshua M.; Bensussan, Alena V.; Richardson, Susan D.. Quality Control of 2-BromoacetamideThis research focused ontrace halo disinfection byproduct part per trillion drinking water. The article conveys some information:

Disinfection byproducts (DBPs) are a ubiquitous source of chem. exposure in drinking H2O and were associated with serious health impacts in human epidemiol. studies. While toxicol. studies have pinpointed DBPs with the greatest toxic potency, anal. methods were lacking for quantifying complete classes of most toxic DBPs at sufficiently low quantification limits (ng/L). This new method reports the parts-per-trillion quantification for 61 toxicol. significant DBPs from 7 different chem. classes, including unregulated iodinated haloacetic acids (HAAs) and trihalomethanes (THMs), haloacetaldehydes, haloketones, haloacetonitriles, halonitromethanes, and haloacetamides, in addition to regulated HAAs and THMs. The final optimized method uses salt-assisted liquid-liquid extraction in a single extraction method for a wide range of DBPs, producing the lowest method detection limits to-date for many compounds, including highly toxic iodinated, brominated, and N-containing DBPs. Extracts were divided for the anal. of the HAAs (including iodinated HAAs) by diazomethane derivatization and anal. using a GC-triple quadrupole mass spectrometer with multiple reaction monitoring, resulting in higher signal-to-noise ratios, greater selectivity, and improved detection of these compounds The remaining DBPs were analyzed using a GC-single quadrupole mass spectrometer with selected ion monitoring, using a multimode inlet allowed for lower injection temperatures to allow the anal. of thermally labile DBPs. Finally, the use of a specialty-phase GC column (Restek Rtx-200) significantly improved peak shapes, which improved separations and lowered detection limits. Method detection limits for most DBPs were 15-100 ng/L, and relative standard deviations in tap H2O samples were mostly between 0.2 and 30%. DBP concentrations in real samples ranged from 40 to 17,760 ng/L for this study. The experimental part of the paper was very detailed, including the reaction process of 2-Bromoacetamide(cas: 683-57-8Quality Control of 2-Bromoacetamide)

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.Quality Control of 2-Bromoacetamide

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