Category: amides-buliding-blocks

Gamidi, Rama Krishna published the artcileAnalysis and Artificial Neural Network Prediction of Melting Properties and Ideal Mole fraction Solubility of Cocrystals, Computed Properties of 1453-82-3, the publication is Crystal Growth & Design (2020), 20(9), 5745-5759, database is CAplus.

Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4′-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals. Different artificial neural network models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. The training process was stopped for all the five models with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals.

Crystal Growth & Design published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, Computed Properties of 1453-82-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Zarudnitskii, E. V. published the artcileC-phosphorylation of 2-dialkylaminothiazole and imidazo[2,1-b]thiazole derivatives, Formula: C5H10N2OS, the publication is Ukrainskii Khimicheskii Zhurnal (Russian Edition) (2002), 68(11-12), 38-42, database is CAplus.

Phosphorylation of 2-dialkylaminothiazole derivatives with PCl₃, Ph₂PCl and Ph₂PBr was studied. Reaction of 2-diethylaminothiazole with R₂PCl gave 2-Et₂N-5-PR₂(C₃HNS) (2 R = Cl, 3 R = Ph). Phosphination of Et 2-diethylaminothiazolecarboxylate (4) with Ph₂PBr gave 5-PPh₂ derivative (5), which was hydrolyzed to free acid (6). Thiazoleacetates 2-R₂N(C₃HNS)-4-CH₂COOEt were also phosphinated in position 5 to give 2-R₂N(C₃NS)-4-CH₂COOEt-5-PPh₂ (8a–c, R = Me, Et, or R₂N = morpholino), which were hydrolyzed to free acids (9a–c). In contrast to esters of 2-dialkylamino-4-thiazoleacetic acids, Et ester of 6-imidazo[2,1-b]thiazoleacetic acid undergoes C-phosphination with Ph₂PCl both at heterocycle and at methylene group.

Ukrainskii Khimicheskii Zhurnal (Russian Edition) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C8H11NO, Formula: C5H10N2OS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Noufele, Christelle Njiki published the artcileUranyl Complexes with Aroylbis(N,N-dialkylthioureas), SDS of cas: 14294-10-1, the publication is Inorganic Chemistry (2018), 57(19), 12255-12269, database is CAplus and MEDLINE.

The reaction of isophthaloylbis(N,N-diethylthiourea), H₂L¹, with UO₂(CH₃COO)₂·2H₂O and NEt₃ as a supporting base gives a tetranuclear, anionic complex [{UO₂(L¹)}₄(OAc)₂]^2-, in which the uranyl ions are S,O-chelate bonded. Each two of them are addnl. linked by an acetato ligand. Similar reactions of various uranyl starting materials (uranyl acetate, uranyl nitrate, (NBu₄)₂[UO₂Cl₄]) with corresponding pyridine-centered ligands (pyridine-2,6-dicarbonylbis(N,N-dialkylthioureas), H₂L²) yield mononuclear, neutral compounds, in which the thiourea derivatives are coordinated as S,N,N,N,S-five-dentate chelators. The equatorial coordination spheres of the formed hexagonal bipyramidal complexes [UO₂(L²)(solv)] are completed by solvent ligands (H₂O, MeOH, or DMF). Attempted reactions without a supporting base result in decomposition of the organic ligands and the formation of hexanuclear uranyl complexes with pyridine-2,6-dicarboxylato ligands, while the use of an excess of base results in condensation and the formation of dinuclear [{UO₂(L²)(μ-OMe)}₂]^2- complexes. A stable complex [UO₂(L³)] results from reactions of common uranyl starting materials with 2,2′-bipyridine-6,6′-dicarbonylbis(N,N-diethylthiourea) (H₂L³). The equatorial coordination sphere of the neutral, hexagonal bipyramidal complex is occupied by an SN₄S donor atom set, which is provided by the hexadentate organic ligand. While the uranium complexes with {L¹}^2- and {L²}^2- are labile and rapidly decompose in acidic solutions, [UO₂(L³)] is stable over a wide pH range, and the ligand readily extracts uranyl ions from aqueous solutions into organic solvents.

Inorganic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, SDS of cas: 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Fang, Danxuan published the artcileStable, Bioresponsive, and Macrophage-Evading Polyurethane Micelles Containing an Anionic Tripeptide Chain Extender, HPLC of Formula: 2418-95-3, the publication is ACS Omega (2019), 4(15), 16551-16563, database is CAplus and MEDLINE.

Polymeric nanocarriers have been extensively used in medicinal applications for drug delivery. However, i.v. nanocarriers circulating in the blood will be rapidly cleared from the mononuclear macrophage system. The surface physicochem. characterizations of nanocarriers are the primary factors to determine their fate in vivo, such as evading the reticuloendothelial system, exhibiting long blood circulation times, and accumulating in the targeted site. In this work, we develop a series of polyurethane micelles containing segments of an anionic tripeptide, hydrophilic mPEG, and disulfide bonds. It is found that the long hydrophilic mPEG can shield the micellar surface and have a synergistic effect with the neg. charged tripeptide to minimize macrophage phagocytosis. Meanwhile, the disulfide bond can rapidly respond to the intracellular reduction environment, leading to the acceleration of drug release and improvement of the therapeutic effect. Our results verify that these anionic polyurethane micelles hold great potential in the development of the stealth immune system and controllable intracellular drug transporters.

ACS Omega published new progress about 2418-95-3. 2418-95-3 belongs to amides-buliding-blocks, auxiliary class Chiral,Carboxylic acid,Amine,Aliphatic hydrocarbon chain,Ester,Amino acide derivatives, name is H-Lys(Boc)-OH, and the molecular formula is C11H22N2O4, HPLC of Formula: 2418-95-3.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Yang, Jianzhong published the artcile3H-1,2,4-Dithiazol-3-one compounds as novel potential affordable antitubercular agents, Product Details of C8H9NOS, the publication is Bioorganic & Medicinal Chemistry Letters (2013), 23(5), 1424-1427, database is CAplus and MEDLINE.

Small mols. with oxathiazol-2-one moiety were recently reported as potent inhibitors of Mycobacterium bovis var. bacilli Calmette-Guerin (BCG), among which HT1171 (I) was the most potent and selective proteasome inhibitor. Herein we synthesized a series of novel compounds by bioisosteric replacement of the oxathiazol-2-one ring with 3H-1,2,4-dithiazol-3-one, and also fifteen 1,3,4-oxathiazol-2-one mols. in order for potency comparison and structure-activity relationship elucidation since their antibacterial effects on the virulent strains were not evaluated before. All the compounds were assessed for antitubercular activities on the virulent H37Rv strain by a serial dilution method. Among the tested compounds, 3H-1,2,4-dithiazol-3-one derivative II was found to be the most active with a lowest MIC₉₀ value of 1 μg/mL. Furthermore, the cytotoxicities of all the compounds against normal human liver cell line L02 were determined by an MTT method. Compound II displayed a lower inhibitory ratio than HT1171 at the concentration of 100 μM, indicating its better safety profile.

Bioorganic & Medicinal Chemistry Letters published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C27H39ClN2, Product Details of C8H9NOS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Huang, Sheng-Yin published the artcileA turn-on luminescent europium probe for cyanide detection in water, Category: amides-buliding-blocks, the publication is Chemical Communications (Cambridge, United Kingdom) (2018), 54(66), 9210-9213, database is CAplus and MEDLINE.

A luminescent europium probe that responds to cyanide directly in water with a large nine-fold turn-on of the Eu^III centered time-gated luminescence is presented. Unlike other CN^– probes reported, the mechanism of action of Eu^III-Lys-HOPO does not rely on reaction of CN^– with the probe, but on direct coordination of CN^– to the Eu^III ion concomitant with displacement of three inner-sphere water mols. This unusual coordination of CN^– with a lanthanide ion in aqueous solution was confirmed by luminescence lifetime measurements.

Chemical Communications (Cambridge, United Kingdom) published new progress about 2418-95-3. 2418-95-3 belongs to amides-buliding-blocks, auxiliary class Chiral,Carboxylic acid,Amine,Aliphatic hydrocarbon chain,Ester,Amino acide derivatives, name is H-Lys(Boc)-OH, and the molecular formula is C11H22N2O4, Category: amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Bravo-Zhivotovskii, D. A. published the artcileReactions of triethylgermyllithium with N,N-dialkylated carboxamides, Related Products of amides-buliding-blocks, the publication is Journal of Organometallic Chemistry (1983), 248(1), 51-60, database is CAplus.

AcNMe₂, Me₃CCONMe₂, F₃CCONEt₂ and BzNEt₂ reacted with Et₃GeLi, which is made from (Et₃Ge)₂Hg and Li in hexane, to give the corresponding acyltriethylgermanes as the principal product. The regioselectivity depends markedly on the reaction conditions and the nature of the acyl fragment of amides. Thus, Et₃GeLi reacted with AcNMe₂ as metalating agent to give LiCH₂CONMe₂ in THF. Mechanistic interpretations of these results are discussed.

Journal of Organometallic Chemistry published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Related Products of amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Bravo-Zhivotovskii, D. A. published the artcileReaction of triethylgermyllithium with N,N-dialkylamides of carboxylic acids, Application In Synthesis of 360-92-9, the publication is Zhurnal Obshchei Khimii (1983), 53(8), 1838-43, database is CAplus.

The title reaction gives the corresponding acylgermanes. The regioselectivity of the reaction depends on the nature of the acyl fragment, the solvent and temperature Thus, reaction of Et₃GeLi with BzNEt₂ in hexane at 20° gave 88% BzGeEt₃.

Zhurnal Obshchei Khimii published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Application In Synthesis of 360-92-9.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Bravo-Zhivotovskii, D. A. published the artcileReactions of triethylgermyllithium with N,N-dialkylamides of carboxylic acids, Product Details of C6H10F3NO, the publication is Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya (1982), 949-51, database is CAplus.

Reaction of Et₃Geli with RCONR¹₂ (R = Ph, R¹ = Et; R = Me, Me₃C, R¹ = Me) gave RCOGeEt₃ (I) and products from the reaction of I with the formed Li derivatives

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, Product Details of C6H10F3NO.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Cusumano, Corinne K. published the artcileTreatment and prevention of urinary tract infection with orally active FimH inhibitors, Recommanded Product: N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, the publication is Science Translational Medicine (2011), 3(109), ra115, 10 pp., database is CAplus and MEDLINE.

Chronic and recurrent urinary tract infections pose a serious medical problem because there are few effective treatment options. Patients with chronic urinary tract infections are commonly treated with long-term prophylactic antibiotics that promote the development of antibiotic-resistant forms of uropathogenic Escherichia coli (UPEC), further complicating treatment. We developed small-mol. weight compounds termed mannosides that specifically inhibit the FimH type 1 pilus lectin of UPEC, which mediates bacterial colonization, invasion, and formation of recalcitrant intracellular bacterial communities in the bladder epithelium. Here, we optimized these compounds for oral bioavailability and demonstrated their fast-acting efficacy in treating chronic urinary tract infections in a preclin. murine model. These compounds also prevented infection in vivo when given prophylactically and strongly potentiated the activity of the current standard of care therapy, trimethoprim-sulfamethoxazole, against clin. resistant PBC-1 UPEC bacteria. These compounds have therapeutic efficacy after oral administration for the treatment of established urinary tract infections in vivo. Their unique mechanism of action-targeting the pilus tip adhesin FimH-circumvents the conventional requirement for drug penetration of the outer membrane, minimizing the potential for the development of resistance. The small-mol. weight compounds described herein promise to provide substantial benefit to women suffering from chronic and recurrent urinary tract infections.

Science Translational Medicine published new progress about 1197171-76-8. 1197171-76-8 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and the molecular formula is C14H20BNO3, Recommanded Product: N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics