Tag: 100-200

SDS of cas: 89281-13-0On May 20, 1999 ,《Design, synthesis and activity of 2,6-diphenoxypyridine-derived factor Xa inhibitors》 appeared in Journal of Medicinal Chemistry. The author of the article were Phillips, Gary; Davey, David D.; Eagen, Keith A.; Koovakkat, Sunil K.; Liang, Amy; Ng, Howard P.; Pinkerton, Michael; Trinh, Lan; Whitlow, Marc; Beatty, Alicia M.; Morrissey, Michael M.. The article conveys some information:

A novel series of 2,6-diphenoxypyridine derivatives I ( R = H, 3,5-Cl2, 4-CO3Et, etc.) and II (X = H, 3,5-Cl2) has been designed to inhibit factor Xa, a serine protease strategically located in the coagulation cascade. The evolution from the photochem. unstable bis(amidine) (Z,Z)-BABCH III to potent bis(amidine) compounds with a pyridine heterocycle as the core scaffold has been achieved. The most potent compound in the series, I (X = 3,5-F2-4-Me) (IV), has a Ki for human factor Xa of 12 nM. The selectivity of IV against bovine trypsin and human thrombin was greater than 90- and 1000-fold, resp. Two proposed modes of binding of IV to factor Xa are made based on the crystal structures of IV by itself and of IV bound to bovine trypsin. After reading the article, we found that the author used 2,6-Dichloroisonicotinamide(cas: 89281-13-0SDS of cas: 89281-13-0)

2,6-Dichloroisonicotinamide(cas: 89281-13-0) 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.SDS of cas: 89281-13-0

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

Safety of 2,2-Dimehtyl-N-pyridin-3-yl-propionamideOn October 7, 1983 ,《Regiospecific electrophilic substitution of aminopyridines: ortho lithiation of 2-, 3-, and 4-(pivaloylamino)pyridines》 was published in Journal of Organic Chemistry. The article was written by Turner, James A.. The article contains the following contents:

2- And 4-(Pivaloylamino)pyridines undergo lithiation exclusively at C-3 and then react with a variety of electrophiles to produce 2,3- and 3,4-disubstituted pyridines, resp. Removal of the pivaloyl protecting group results in overall electrophilic substitution of an aminopyridine. Utilization of this method is exemplified by efficient syntheses of 2- and 4-aminonicotinaldehydes. Minor modifications of the reaction conditions permitted exclusive ortho lithiation of 2-(pivaloylamino)pyridines addnl. functionalized by chloro, fluoro, or Me groups. Although the major product from reaction of 3-(pivaloylamino)pyridine by this method was lithiation at C-4, the reaction was complicated by substantial quantities of product derived from nucleophilic attack by BuLi on the pyridine nucleus. In addition to this study using 2,2-Dimehtyl-N-pyridin-3-yl-propionamide, there are many other studies that have used 2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3Safety of 2,2-Dimehtyl-N-pyridin-3-yl-propionamide) was used in this study.

2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Safety of 2,2-Dimehtyl-N-pyridin-3-yl-propionamide

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

Application of 4746-61-6On October 31, 1982 ,《Regioselectivity of enzymic O-dealkylation of simple analogs of cholecystographic constrast media》 was published in Drug Metabolism and Disposition. The article was written by Shono, Tatsuya; Ohmizu, Yohko; Toda, Toshiki; Oshino, Nozomu. The article contains the following contents:

The metabolites of N,N’-diphenyl-α,ω-polyoxyethylenedicarboxamides following O-dealkylation by rat liver microsomes were identified by high-performance liquid chromatog. The pattern of metabolism of the dicarboxamides followed the same O-dealkylation pattern as that of iotroxic acid. In the part of experimental materials, we found many familiar compounds, such as 2-Hydroxy-N-phenylacetamide(cas: 4746-61-6Application of 4746-61-6)

2-Hydroxy-N-phenylacetamide(cas: 4746-61-6) 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.Application of 4746-61-6

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

《Structural Diversity in Multinuclear PdII Assemblies that Show Low-Humidity Proton Conduction》 was published in Chemistry – A European Journal in 2014. These research results belong to Samanta, Dipak; Mukherjee, Partha Sarathi. SDS of cas: 64479-78-3 The article mentions the following:

Systematic study on synergetic effects of geometry, length, denticity, and asymmetry of donors was performed through the formation of uncommon PdII aggregates by employing the donor in a multicomponent self-assembly of a cis-blocked 90° PdII acceptor and a tetratopic donor. Some of these assemblies represent the 1st examples of these types of structures, and their formation is not anticipated by only taking the geometry of the donor and the acceptor building units into account. Anal. of the crystal packing of the x-ray structure revealed several H bonds between the counteranions (NO3-) and H2O mols. (O-H···O=N). Also, H-bonded 3-dimensional-networks of H2O are present in the mol. pockets, which show H2O-adsorption properties with some variation in H2O affinity. These complexes exhibit proton conductivity (1.87 × 10-5-6.52 × 10-4 Scm-1) at 296 K and low relative humidity (∼46 %) with activation energies of 0.29-0.46 eV. Also, the conductivities further increase with the enhancement of humidity. The ability of these assemblies to exhibit p-conducting properties under low-humidity conditions makes these materials highly appealing as electrolytes in batteries and in fuel-cell applications. The experimental part of the paper was very detailed, including the reaction process of N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3SDS of cas: 64479-78-3)

N-(Pyridin-4-yl)isonicotinamide(cas: 64479-78-3) belongs to amides.SDS of cas: 64479-78-3 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

《Light-Driven Coordination-Induced Spin-State Switching: Rational Design of Photodissociable Ligands》 was published in Chemistry – A European Journal in 2012. These research results belong to Thies, Steffen; Sell, Hanno; Bornholdt, Claudia; Schuett, Christian; Koehler, Felix; Tuczek, Felix; Herges, Rainer. Application of 70298-88-3 The article mentions the following:

The bistability of spin states (e.g., spin crossover) in bulk materials is well investigated and understood. The authors recently extended spin-state switching to isolated mols. at room temperature (light-driven coordination-induced spin-state switching, or LD-CISSS). Whereas bistability and hysteresis in conventional spin-crossover materials are caused by cooperative effects in the crystal lattice, spin switching in LD-CISSS is achieved by reversibly changing the coordination number of a metal complex by means of a photochromic ligand that binds in one configuration but dissociates in the other form. The authors present math. proof that the maximum efficiency in property switching by such a photodissociable ligand (PDL) is only dependent on the ratio of the association constants of both configurations. Rational design by using DFT calculations was applied to develop a photoswitchable ligand with a high switching efficiency. The starting point was a nickel-porphyrin as the transition-metal complex and 3-phenylazopyridine as the photodissociable ligand. Calculations and experiments were performed in two iterative steps to find a substitution pattern at the phenylazopyridine ligand that provided optimum performance. Following this strategy, the authors synthesized an improved photodissociable ligand that binds to the Ni-porphyrin with an association constant that is 5.36 times higher in its trans form than in the cis form. The switching efficiency between the diamagnetic and paramagnetic state is efficient as well (72 % paramagnetic Ni-porphyrin after irradiation at 365 nm, 32 % paramagnetic species after irradiation at 440 nm). Potential applications arise from the fact that the LD-CISSS approach for the first time allows reversible switching of the magnetic susceptibility of a homogeneous solution Photoswitchable contrast agents for magnetic resonance imaging and light-controlled magnetic levitation are conceivable applications. In addition to this study using 2,2-Dimehtyl-N-pyridin-3-yl-propionamide, there are many other studies that have used 2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3Application of 70298-88-3) was used in this study.

2,2-Dimehtyl-N-pyridin-3-yl-propionamide(cas: 70298-88-3) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Application of 70298-88-3

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

《Discovery of CyclicBoronic Acid QPX7728, an Ultrabroad-SpectrumInhibitor of Serine and Metallo-β-lactamases》 was published in Journal of Medicinal Chemistry in 2020. These research results belong to Hecker, Scott J.; Reddy, K. Raja; Lomovskaya, Olga; Griffith, David C.; Rubio-Aparicio, Debora; Nelson, Kirk; Tsivkovski, Ruslan; Sun, Dongxu; Sabet, Mojgan; Tarazi, Ziad; Parkinson, Jonathan; Totrov, Maxim; Boyer, Serge H.; Glinka, Tomasz W.; Pemberton, Orville A.; Chen, Yu; Dudley, Michael N.. Related Products of 683-57-8 The article mentions the following:

Despite major advances in the beta-lactamase inhibitor field, certain enzymes remain refractory to inhibition by agents recently introduced. Most important among these are the Class B (metallo) enzyme NDM-1 of Enterobacteriaceae and the Class D (OXA) enzymes of Acinetobacter baumannii. Continuing the boronic acid program that led to vaborbactam, efforts were directed toward expanding the spectrum to allow treatment of a wider range of organisms. Through key structural modifications of a bicyclic lead, stepwise gains in spectrum of inhibition were achieved, ultimately resulting in QPX7728, I. This compound displays a remarkably broad spectrum of inhibition, including Class B and Class D enzymes, and is little affected by porin modifications and efflux. I is a promising agent for use in combination with a beta-lactam antibiotic for the treatment of a wide range of multidrug resistant gram-neg. bacterial infections, by both i.v. and oral administration. In the part of experimental materials, we found many familiar compounds, such as 2-Bromoacetamide(cas: 683-57-8Related Products of 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.Related Products of 683-57-8

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

HPLC of Formula: 683-57-8In 2021 ,《Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds》 was published in Journal of Medicinal Chemistry. The article was written by Pallesen, Jakob S.; Narayanan, Dilip; Tran, Kim T.; Solbak, Sara M. Oe.; Marseglia, Giuseppe; Soerensen, Louis M. E.; Hoej, Lars J.; Munafo, Federico; Carmona, Rosa M. C.; Garcia, Anthony D.; Desu, Haritha L.; Brambilla, Roberta; Johansen, Tommy N.; Popowicz, Grzegorz M.; Sattler, Michael; Gajhede, Michael; Bach, Anders. The article contains the following contents:

Targeting the protein-protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to control diseases involving oxidative stress. Here, six classes of known small-mol. Keap1-Nrf2 PPI inhibitors were dissected into 77 fragments in a fragment-based deconstruction reconstruction (FBDR) study and tested in four orthogonal assays. This gave 17 fragment hits of which six were shown by X-ray crystallog. to bind in the Keap1 Kelch binding pocket. Two hits were merged into pyrazole I with a 220-380-fold stronger affinity (Ki = 16μM) relative to the parent fragments. Systematic optimization resulted in several novel analogs with Ki values of 0.04-0.5μM, binding modes determined by X-ray crystallog., and enhanced microsomal stability. This demonstrates how FBDR can be used to find new fragment hits, elucidate important ligand-protein interactions, and identify new potent inhibitors of the Keap1-Nrf2 PPI. After reading the article, we found that the author used 2-Bromoacetamide(cas: 683-57-8HPLC of Formula: 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.HPLC of Formula: 683-57-8

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

COA of Formula: C4H9NO2In 2021 ,《Total Synthesis of Enantiopure Chabrolonaphthoquinone B Via a Stereoselective Julia-Kocienski Olefination》 was published in Journal of Organic Chemistry. The article was written by Rizos, Stergios R.; Peitsinis, Zisis V.; Koumbis, Alexandros E.. The article contains the following contents:

The total synthesis of cytotoxic meroditerpenoid naphthoquinone derivative chabrolonaphthoquinone B (1, I) in an enantiospecific manner is divulged using a chiral pool approach. The key step of our synthetic route is a modified Julia olefination between a sulfone-bearing aliphatic fragment and a Diels-Alder-derived aromatic aldehyde, leading to the stereoselective construction of the E-trisubstituted double bond. In the experiment, the researchers used many compounds, for example, N-Methoxy-N-methylacetamide(cas: 78191-00-1COA of Formula: 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.COA of Formula: C4H9NO2

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

Application of 683-57-8In 2022 ,《Bis(amido)bis(oxinate)diamine Ligands for theranostic radiometals》 appeared in Journal of Inorganic Biochemistry. The author of the article were Southcott, Lily; Whetter, Jennifer N.; Wharton, Luke; Patrick, Brian O.; Zarschler, Kristof; Kubeil, Manja; Stephan, Holger; Jaraquemada-Pelaez, Maria de Guadalupe; Orvig, Chris. The article conveys some information:

With the interest in radiometal-containing diagnostic and therapeutic pharmaceuticals increasing rapidly, appropriate ligands to coordinate completely and stably said radiometals is essential. Reported here are two novel, bis(amido)bis(oxinate)diamine ligands, H2amidohox (2,2′-(ethane-1,2-diylbis(((8-hydroxyquinolin-2-yl)methyl)azanediyl))diacetamide) and H2amidoC3hox (2,2′-(propane-1,3-diylbis(((8-hydroxyquinolin-2-yl)methyl)azanediyl))diacetamide), that combine two 8-hydroxyquinoline and amide donor groups and differ by one carbon in their 1,2-ethylenediamine vs. 1,3-diaminopropane backbones, resp. Both ligands were thoroughly studied via metal complexation, solution thermodn. and radiolabeling with three radiometal ions: [nat/64Cu]Cu2+, [nat/111In]In3+, and [nat/203Pb]Pb2+. X-ray crystallog. determined the structures of the hexacoordinated Cu2+-ligand complexes, indicating a better fit of Cu2+ to the H2amidohox binding pocket. Concentration dependent radiolabeling with [64Cu]Cu2+ was successfully quant. as low as 1μM with H2amidohox and 10μM with H2amidoC3hox within 5 min at room temperature However, [64Cu][Cu(amidohox)] maintained higher kinetic inertness against a superoxide dismutase enzyme-challenge assay and ligand challenges compared to the [64Cu][Cu(amidoC3hox)] counterpart. Similarly, H2amidohox had significantly higher radiochem. conversion with both [111In]In3+ (97% at 1μM) and [203Pb]Pb2+ (97% at 100μM) under mild conditions compared to H2amidoC3hox (76% with [111In]In3+ at 1μM and 0% with [203Pb]Pb2+). By studying non-radioactive and radioactive complexation with both ligands, a comprehensive understanding of the coordination differences between two- and three-carbon diamine backbones is discussed. Overall, the ethylenediamine backbone of H2amidohox proves to be superior in rapid, mild radiolabeling and kinetic inertness towards competing ligands and proteins. After reading the article, we found that the author used 2-Bromoacetamide(cas: 683-57-8Application of 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.Application of 683-57-8

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

Hopkins, Megan D.; Ozmer, Garett L.; Witt, Ryan C.; Brandeburg, Zachary C.; Rogers, David A.; Keating, Claire E.; Petcoff, Presley L.; Sheaff, Robert J.; Lamar, Angus A. published their research in Organic & Biomolecular Chemistry in 2021. The article was titled 《PhI(OAc)2 and iodine-mediated synthesis of N-alkyl sulfonamides derived from polycyclic aromatic hydrocarbon scaffolds and determination of their antibacterial and cytotoxic activities》.Reference of 4-Methylbenzenesulfonamide The article contains the following contents:

The development of new approaches toward chemo- and regioselective functionalization of polycyclic aromatic hydrocarbon (PAH) scaffolds will provide opportunities for the synthesis of novel biol. active small mols. that exploit the high degree of lipophilicity imparted by the PAH unit. Herein, new synthetic method for C-X bond substitution that is speculated to operate via a N-centered radical (NCR) mechanism according to exptl. observations was reported. A series of PAH sulfonamides have been synthesized and their biol. activity has been evaluated against Gram-neg. and Gram-pos. bacterial strains (using a BacTiter-Glo assay) along with a series of mammalian cell lines (using CellTiter-Blue and CellTiter-Glo assays). The viability assays have resulted in the discovery of a number of bactericidal compounds that exhibit potency similar to other well-known antibacterials such as kanamycin and tetracycline, along with the discovery of a luciferase inhibitor. Addnl., the physicochem. and drug-likeness properties of the compounds were determined exptl. and using in silico approaches and the results are presented and discussed within. In the experiment, the researchers used many compounds, for example, 4-Methylbenzenesulfonamide(cas: 70-55-3Reference of 4-Methylbenzenesulfonamide)

4-Methylbenzenesulfonamide(cas: 70-55-3) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.Reference of 4-Methylbenzenesulfonamide

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