Month: December 2022

Li, Yin published the artcileTemperature-Dependent Terahertz Spectra of Isonicotinamide in the Form I Studied Using the Quasi-Harmonic Approximation, Related Products of amides-buliding-blocks, the publication is ChemPhysChem (2022), 23(6), e202100849, database is CAplus and MEDLINE.

Anharmonicity of mol. vibrational motions is closely associated with the thermal property of crystals. However, the origin of anharmonicity is still not fully understood. Low-frequency vibrations, which are usually defined in the terahertz (THz) range, show excellent sensitivity to anharmonicity. In this work, anharmonicity of isonicotinamide in the form I was investigated by using temperature-dependent terahertz time-domain spectroscopy and the quasi-harmonic approximation (QHA) approach at PBE-D3 and PBE-MBD levels. Both DFT calculations suggest the variation of π-π stacking conformation dominates in the thermal expansion of the unit cell. Frequency shifts of the modes in THz range obtained by QHA approach are found to be qual. consistent with exptl. observations, demonstrating QHA approach is a useful tool for the interpretation of frequency shifts of modes induced by temperature

ChemPhysChem 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, Related Products of amides-buliding-blocks.

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

Liu, Juan published the artcileInfluence of Monomers’ Structure on the Assembly and Material Property of Pillar[5] arene-Based Supramolecular Polymer Gels, Formula: C6H6N2O, the publication is Chinese Journal of Chemistry (2021), 39(12), 3421-3428, database is CAplus.

Pillar[5]arene-based supramol. polymer gels (SPGs) show broad application prospects. To investigate the influence of the supramol. monomers’ structure on the assembly and properties of corresponding pillar[5]arene-based SPGs, a series of monomers based on different functionalized pillar[5]arene derivatives with various structures were synthesized. There are per-methylated pillar[5]arene (H1), bromobutane-functionalized pillar[5]arene (H2), 4-hydroxybenzaldehyde-functionalized pillar[5]arene (H3), Et thioglycolate-functionalized pillar[5]arene (H4), thioacetylhydrazine-functionalized pillar[5]arene (H5), bola-type bis-pillar[5]arene (H6) and tripodal-type tri-pillar[5]arene (H7). Meanwhile, a neutral tripodal-guest TG was also employed to co-assemble with these pillar[5]arene-based monomers by host-guest interactions. As a result, under the same conditions (10%, DMSO-H2O, w/v, 10 mg·mL-1 = 1%), H1 and H2 cannot assemble into SPGs with TG. Interestingly, mono-p[5] derivatives H3-H5 could assemble into SPGs with TG. More importantly, bis-p[5] H6 and tri-p[5] H7 could assemble into supramol. polymer network gel (SPNG) and supramol. polymer organic framework gel (SOFG) with TG, resp. These gels all show blue aggregation-induced emission (AIE) properties. Among these SPGs, the SPNG shows the best viscoelastic behavior and self-healing properties. The result is attributed to the flexible network structure of SPNGs. In addition, the xerogels of SOFG and SPNG have shown nice adsorption and separation properties for organic dyes in water solution

Chinese Journal of Chemistry 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, Formula: C6H6N2O.

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

Tang, Zheng published the artcileAltering elastic-plastic mechanical response of a series of isostructural metal-organic complexes crystals, Quality Control of 1453-82-3, the publication is Science China: Chemistry (2022), 65(4), 710-718, database is CAplus.

The mech. compliant single crystals have attracted massive attention. However, the related reports on the single crystals composed of metal-organic complexes remain scarce. In this study, we synthesized a series of isostructural single crystals of ZnII complexes that manifest mech. bending in response to external stress. In these crystals, the mech. responses can be shifted between elastic bending and plastic bending by the control of the intermol. interactions through a rational structural modification in the substituent group of pyridine ligands. As the mol. reorientation corresponding to ligand variation elongates the interfacial distance between mol. slip planes, and the structural disorder of ligands disperses the interplanar intermol. interactions, the shift from elastic bending to plastic bending of the metal-organic complex-based single crystal was realized. The different mech. responses of single crystals were comprehensively investigated both exptl. and theor.

Science China: Chemistry 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 C4H11NO, Quality Control of 1453-82-3.

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

Patel, Paresma R. published the artcileIn vitro evaluation of imidazo[4,5-c]quinolin-2-ones as gametocytocidal antimalarial agents, Name: (6-Acetamidopyridin-3-yl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2016), 26(12), 2907-2911, database is CAplus and MEDLINE.

Novel imidazo[4,5-c]quinolin-2-ones, such as I, were synthesized and evaluated in asexual blood stage and late stage gametocyte assays of Plasmodium falciparum, a major causative agent of malaria. The design of these compounds is based on a recently identified lead compound from a high throughput screen. A concise synthesis was developed that allowed for generation of analogs with substitution around both the quinoline and imidazolidinone rings. Through structure-activity relationship studies, a number of potent compounds were identified that possessed excellent antimalarial activity against both the asexual and sexual stages with minimal cytotoxicity in mammalian cells. This is the first Letter describing SAR and gametocytocidal activity of imidazo[4,5-c]quinolin-2-ones, a new lead series for malaria treatment and prevention.

Bioorganic & Medicinal Chemistry Letters published new progress about 947533-21-3. 947533-21-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Boronic acid and ester,Amine,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (6-Acetamidopyridin-3-yl)boronic acid, and the molecular formula is C7H9BN2O3, Name: (6-Acetamidopyridin-3-yl)boronic acid.

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

Li, Hao published the artcileEfficient Synthesis of 1,9-Substituted Benzo[h][1,6]naphthyridin-2(1H)-ones and Evaluation of their Plasmodium falciparum Gametocytocidal Activities, Application In Synthesis of 947533-21-3, the publication is ACS Combinatorial Science (2017), 19(12), 748-754, database is CAplus and MEDLINE.

A novel three-component, two-step, 1-pot nucleophilic aromatic substitution (S_NAr)-intramol. cyclization-Suzuki coupling reaction was developed for the synthesis of benzo[h][1,6]naphthyridin-2(1H)-ones (Torins). On the basis of the new efficiently convergent synthetic route, a library of Torin 2 analogs was synthesized. The antimalarial activities of these compounds were evaluated against asexual parasites using a growth inhibition assay and gametocytes using a viability assay.

ACS Combinatorial Science published new progress about 947533-21-3. 947533-21-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Boronic acid and ester,Amine,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (6-Acetamidopyridin-3-yl)boronic acid, and the molecular formula is C7H9BN2O3, Application In Synthesis of 947533-21-3.

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

Gan, Na published the artcileHow hydrophilic group affects drug-protein binding modes: Differences in interaction between sirtuins inhibitors Tenovin-1/Tenovin-6 and human serum albumin, Computed Properties of 380315-80-0, the publication is Journal of Pharmaceutical and Biomedical Analysis (2021), 114121, database is CAplus and MEDLINE.

Introduction of hydrophilic groups can improve the solubility of leading drugs but inevitably affect their interaction with proteins. This study selected sirtuin inhibitors Tenovin-1 (T1) and Tenovin-6 (T6) as drug models to determine differences in binding mode to human serum albumin (HSA). T1 and T6 quenched the endogenous fluorescence of HSA via static quenching mechanism. Introduction of hydrophilic groups greatly reduced the binding constant, i.e., from 1.302 x 104 L mol-1 for the HSA-T6 system to 0.128 x 104 L mol-1 for the HSA-T1 system. HSA-T1 system was mainly driven by electrostatic interactions while that of HSA-T6 system was hydrophobic interaction and both systems were spontaneous reactions. Site marker experiments and mol. docking indicated that both systems mainly bound to the hydrophobic site I of HSA. Mol. dynamics (MD) simulation anal. further revealed that Tyr148, Tyr150 and Arg257 residues played a key role in this recognition process for both systems. In particular, T6 maintained addnl. several hydrogen bonds with the surrounding residues. T1 had almost no effect on the esterase-like activity of HSA, but T6 inhibited the hydrolysis of p-NPA. Furthermore, differential scanning calorimetry (VP-DSC), CD (CD) and Fourier transform IR (FTIR) spectroscopy confirmed that HSA in the T6 system undergone a more significant conformational transition than that in the T1 system.

Journal of Pharmaceutical and Biomedical Analysis published new progress about 380315-80-0. 380315-80-0 belongs to amides-buliding-blocks, auxiliary class Apoptosis,p53, name is N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide, and the molecular formula is C20H23N3O2S, Computed Properties of 380315-80-0.

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

Gan, Na published the artcileHow hydrophilic group affects drug-protein binding modes: Differences in interaction between sirtuins inhibitors Tenovin-1/Tenovin-6 and human serum albumin, Formula: C25H34N4O2S, the publication is Journal of Pharmaceutical and Biomedical Analysis (2021), 114121, database is CAplus and MEDLINE.

Introduction of hydrophilic groups can improve the solubility of leading drugs but inevitably affect their interaction with proteins. This study selected sirtuin inhibitors Tenovin-1 (T1) and Tenovin-6 (T6) as drug models to determine differences in binding mode to human serum albumin (HSA). T1 and T6 quenched the endogenous fluorescence of HSA via static quenching mechanism. Introduction of hydrophilic groups greatly reduced the binding constant, i.e., from 1.302 x 104 L mol-1 for the HSA-T6 system to 0.128 x 104 L mol-1 for the HSA-T1 system. HSA-T1 system was mainly driven by electrostatic interactions while that of HSA-T6 system was hydrophobic interaction and both systems were spontaneous reactions. Site marker experiments and mol. docking indicated that both systems mainly bound to the hydrophobic site I of HSA. Mol. dynamics (MD) simulation anal. further revealed that Tyr148, Tyr150 and Arg257 residues played a key role in this recognition process for both systems. In particular, T6 maintained addnl. several hydrogen bonds with the surrounding residues. T1 had almost no effect on the esterase-like activity of HSA, but T6 inhibited the hydrolysis of p-NPA. Furthermore, differential scanning calorimetry (VP-DSC), CD (CD) and Fourier transform IR (FTIR) spectroscopy confirmed that HSA in the T6 system undergone a more significant conformational transition than that in the T1 system.

Journal of Pharmaceutical and Biomedical Analysis published new progress about 1011557-82-6. 1011557-82-6 belongs to amides-buliding-blocks, auxiliary class Epigenetics,Sirtuin, name is 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, and the molecular formula is C25H34N4O2S, Formula: C25H34N4O2S.

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

Wang, Xuan published the artcileRuthenium-Promoted C-H Activation Reactions between DNA-Conjugated Acrylamide and Aromatic Acids, SDS of cas: 2479-62-1, the publication is Organic Letters (2018), 20(16), 4764-4768, database is CAplus and MEDLINE.

The first example of DNA-compatible C-H activation reaction between DNA-conjugated acrylamides and aromatic acids has been developed. This new transformation enables aromatic acid, previously considered as monofunctional building block, to act like a bifunctional building block for the DNA encoded library synthesis. The general scope of aromatic acid was established for this new on-DNA C-H activation, which paved the way for its application in combinatorial library preparation

Organic Letters published new progress about 2479-62-1. 2479-62-1 belongs to amides-buliding-blocks, auxiliary class Monomers,Acrylamide Monomers, name is N-(2-Amino-2-oxoethyl)acrylamide, and the molecular formula is C6H8O4, SDS of cas: 2479-62-1.

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

Wu, Chaoneng published the artcile“Pro-resolution” and anti-inflammation, a role of RvE1 in anti-atherosclerosis and plaque stabilization, Quality Control of 321673-30-7, the publication is Medical Hypotheses (2008), 71(2), 252-255, database is CAplus and MEDLINE.

A review. Summary: Inflammation governs atherosclerosis and is firmly regulated. Endogenous mechanisms to keep inflammation self-limiting are unclear. In the present article, we propose that RvE1 (resolution E1), an endogenous lipid mediator, inhibits inflammation through “pro-resolution” and counter-modulating immunity in atherosclerosis. The background comes from studies on the potent programming of resolution and immuno-inflammation of RvE1 and its precursor, eicosapentaenoic acid, in treating chronic inflammatory disease with unknown mechanisms. In light of the interaction between RvE1 and leukotrieneB4 (LTB4) and their potential impaired immunity regulation hematostasis, we hypothesize that RvE1 play an anti-atherosclerosis and plaque stabilization role through “pro-resolution” and anti-inflammation which may be realized by blocking LTB4/BLT1 (receptor of LTB4) pathway. Our hypothesis generates potentially clin. viewpoint to systematically look for pro- and anti-inflammation and “pro-resolution” process in atherosclerosis. Furthermore, we suggest that RvE1 might be particularly indicated for the treatment of atherosclerotic diseases and plaque stabilization which might ensure an effective management for patients with coronary artery disease.

Medical Hypotheses published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C14H12N2S, Quality Control of 321673-30-7.

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

Kanemoto, Kazuya published the artcileRhodium-catalyzed odorless synthesis of diaryl sulfides from borylarenes and S-aryl thiosulfonates, Computed Properties of 146140-95-6, the publication is Chemical Communications (Cambridge, United Kingdom) (2017), 53(77), 10640-10643, database is CAplus and MEDLINE.

Diaryl sulfides such as I [R¹ = 4-BrC₆H₄, 4-Me₂NC₆H₄, 3-thienyl, etc.; R² = 4-MeC₆H₄, 2-FC₆H₄, 3-HOC₆H₄] were efficiently prepared by rhodium-catalyzed odorless deborylative arylthiolation of organoborons with S-aryl thiosulfonates. The ready availability of starting materials and further transformation of sulfides was rendered a diverse range of organosulfur compounds easily accessible.

Chemical Communications (Cambridge, United Kingdom) published new progress about 146140-95-6. 146140-95-6 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (2-Pivalamidophenyl)boronic acid, and the molecular formula is C11H16BNO3, Computed Properties of 146140-95-6.

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