Month: December 2022

Uzal-Varela, Rocio published the artcileUnderstanding the Effect of the Electron Spin Relaxation on the Relaxivities of Mn(II) Complexes with Triazacyclononane Derivatives, Application of 2-Chloroacetamide, the publication is Inorganic Chemistry (2021), 60(20), 15055-15068, database is CAplus and MEDLINE.

Investigating the relaxation of water ¹H nuclei induced by paramagnetic Mn(II) complexes is important to understand the mechanisms that control the efficiency of contrast agents used in diagnostic magnetic resonance imaging (MRI). Herein, a series of potentially hexadentate triazacyclononane (TACN) derivatives containing different pendant arms were designed to explore the relaxation of the electron spin in the corresponding Mn(II) complexes using a combination of ¹H NMR relaxometry and theor. calculations These ligands include 1,4,7-triazacyclononane-1,4,7-triacetic acid (H₃NOTA) and three derivatives in which an acetate group is replaced by sulfonamide (H₃NO2ASAm), amide (H₂NO2AM) or pyridyl (H₂NO2APy) pendants, resp. The analog of H₃NOTA containing three propionate pendant arms (H₃NOTPrA) was also investigated. The x-ray structure of the derivative containing two acetate groups and a sulfonamide pendant arm [Mn(NO2ASAm)]^– evidenced six-coordination of the ligand to the metal ion, with the coordination polyhedron being close to a trigonal prism. The relaxivities of all complexes at 20 MHz and 25° (1.1-1.3 mM^-1 s^-1) are typical of systems that lack water mols. coordinated to the metal ion. The nuclear magnetic relaxation profiles evidence significant differences in the relaxivities of the complexes at low fields (<1 MHz), which are associated with different spin relaxation rates. The zero field splitting (ZFS) parameters calculated using DFT and CASSCF methods show that electronic relaxation is relatively insensitive to the nature of the donor atoms. However, the twist angle of the two tripodal faces that delineate the coordination polyhedron, defined by the N atoms of the TACN unit (lower face) and the donor atoms of the pendant arms (upper face), has an important effect in the ZFS parameters. A twist angle close to the ideal value for an octahedral coordination (60°), such as that in [Mn(NOTPrA)]^–, leads to a small ZFS energy, whereas this value increases as the coordination polyhedron approaches to a trigonal prism.

Inorganic Chemistry published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C9H7NO4, Application of 2-Chloroacetamide.

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

Mastrangelo, M. M. published the artcileOccurrence and accumulation of pharmaceutical products in water and biota of urban lowland rivers, Application In Synthesis of 137862-53-4, the publication is Science of the Total Environment (2022), 154303, database is CAplus and MEDLINE.

We evaluated the distribution of eleven groups of pharmaceutically active compounds (PhACs) in surface waters and biota of different trophic levels, in five sites of two lowland urban rivers in Argentine. Twenty-nine out of 39 PhACs and two metabolites were detected in at least one water sample (2-9622 ng/L), eleven detected in biofilms (1-179 ng/g d.w.) and eight in the macrophyte Lemna gibba (4-112 ng/g d.w). The two more polluted sites had a similar distribution of the main groups of compounds In surface waters, the largest concentrations were for the analgesic acetaminophen (9622 ng/L), the antibiotic sulfamethoxazole (326 ng/L), the antihypertensive valsartan (963 ng/L), the β-blocking agent atenolol (427 ng/L), the diuretic hydrochlorothiazide (445 ng/L) and the psychiatric drug carbamazepine (99 ng/L). The antibiotic ciprofloxacin exhibited the highest concentration in the biofilm (179 ng/g d.w.) and in the macrophyte L. gibba (112 ng/g d.w.) Several compounds were detected in the water but not in the biota (e.g., codeine and bezafibrate), and others (e.g., azithromycin and citalopram) were found in the biota but not in the surface water. Significant bioaccumulation factors (>1000 L/kg d.w.) were obtained for venlafaxine and ciprofloxacin in biofilm. Our results show that PhACs may accumulate in several biol. compartments. Within an environmental compartment, similar PhACs profile and concentrations were found in different sites receiving urban pollution. Among different compartments, biofilms may be the most suitable biota matrix to monitor the immediate reception of PhACs in the biota. Our results indicate that the presence of PhACs in urban rivers and their accumulation in the biota could be incorporated as symptoms of the urban stream syndrome.

Science of the Total Environment published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, Application In Synthesis of 137862-53-4.

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

Peikert, Alexander published the artcileEffects of sacubitril/valsartan versus valsartan on renal function in patients with and without diabetes and heart failure with preserved ejection fraction: insights from PARAGON-HF, Quality Control of 137862-53-4, the publication is European Journal of Heart Failure (2022), 24(5), 794-803, database is CAplus and MEDLINE.

Diabetes is associated with a faster rate of renal function decline in patients with heart failure (HF). Sacubitril/valsartan attenuates the deterioration of renal function to a greater extent in patients with diabetes and HF with reduced ejection fraction compared with renin-angiotensin system inhibitors alone. We assessed whether the same may be true in HF with preserved ejection fraction (HFpEF). In the PARAGON-HF trial in patients with HF and left ventricular ejection fraction of ≥45% (n = 4796), we characterized the effects of sacubitril/valsartan on changes in estimated glomerular filtration rate (eGFR) over a period of 192 wk, and on the pre-specified renal composite outcome (eGFR reduction of ≥50%, end-stage renal disease, or death attributable to renal causes) in patients with (n = 2388) and without diabetes (n = 2408). The decline in eGFR was greater in patients with diabetes than in those without (-2.6 vs. -1.7 mL/min/1.73 m2 per yr, p < 0.001), regardless of treatment assignment. Sacubitril/valsartan attenuated decline in eGFR similarly in patients with (-2.2 vs. -2.9 mL/min/1.73 m2 per yr, p = 0.001) and without diabetes (-1.5 vs. -2.0 mL/min/1.73 m2 per yr, p = 0.006) (pinteraction for difference in eGFR slopes = 0.40). Compared with valsartan, sacubitril/valsartan reduced the renal composite outcome similarly in patients without diabetes (hazard ratio [HR] 0.42, 95% confidence interval [CI] 0.19-0.91) and those with diabetes (HR 0.54, 95% CI 0.33-0.89; pinteraction = 0.59), as well as across a range of baseline glycated Hb (pinteraction = 0.71). Sacubitril/valsartan, compared with valsartan, attenuates the decline of eGFR and reduces clin. relevant kidney events similarly among patients with HFpEF with and without diabetes.

European Journal of Heart Failure published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, Quality Control of 137862-53-4.

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

Herder, Martin published the artcileSwitching with orthogonal stimuli: electrochemical ring-closure and photochemical ring-opening of bis(thiazolyl)maleimides, Application of Morpholine-4-carbothioamide, the publication is Chemical Science (2013), 4(3), 1028-1040, database is CAplus.

The photochem. as well as electrochem. of novel donor-acceptor bis(morpholinothiazolyl)-maleimides has been investigated. Proper substitution of these diarylethene-type mol. switches leads to the unique situation in which their ring-closure can only be accomplished electrochem., while ring-opening can only be achieved photochem. Hence, these switches operate with orthogonal stimuli, i.e. redox potential and light, resp. The switch system could be optimized by introducing trifluoromethyl groups at the reactive carbon atoms in order to avoid byproduct formation during oxidative ring closure. Both photochem. and electrochem. pathways were investigated for methylated, trifluoromethylated, and nonsym. bis(morpholinothiazolyl)maleimides as well as the bis(morpholinothiazolyl)cyclopentene reference compound With the aid of the nonsym. “mixed” derivative, the mechanism of electrochem. driven ring closure could be elucidated and seems to proceed via a dicationic intermediate generated by two-fold oxidation All exptl. work has been complemented by d. functional theory that provides detailed insights into the thermodn. of the ring-open and closed forms, the nature of their excited states, and the reactivity of their neutral as well as ionized species in different electronic configurations. The particular diarylethene systems described herein could serve in multifunctional (logic) devices operated by different stimuli (inputs) and may pave the way to converting light into elec. energy via photoinduced “pumping” of redox-active meta-stable states.

Chemical Science 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, Application of Morpholine-4-carbothioamide.

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

Sathyanarayana, Pochampalli published the artcileIodine-catalyzed oxidative C-C bond cleavage for benzoic acids and benzamides from alkyl aryl ketones, Recommanded Product: 2,4-Dichlorobenzamide, the publication is RSC Advances (2016), 6(27), 22749-22753, database is CAplus.

Iodine-catalyzed oxidative C-C bond cleavage has been performed for the facile synthesis of both benzoic acids and benzamides from readily available alkyl aryl ketones. Addnl. benzylidene acetones and phenylacetylenes were also converted to the corresponding aromatic acids under the same conditions. This approach features the use of inexpensive iodine as a catalyst, broad substrate scope and open air conditions.

RSC Advances published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Recommanded Product: 2,4-Dichlorobenzamide.

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

Djerassi, Carl published the artcileOptical rotatory dispersion studies. XLIII. Absolute configurational assignment of α-substituted carboxylic acids by anomalous rotatory dispersion of their acylthiourea derivatives, Recommanded Product: Morpholine-4-carbothioamide, the publication is Journal of the American Chemical Society (1960), 5755-6, database is CAplus.

cf. CA 54, 7574h; 55, 7476f. In order to show anomalous rotatory dispersion, carboxylic acids must be converted to derivatives containing a chromophore. The acyl thioureas, RCONHCSNR’₂, were suitable, especially when NR’₂ = morpholino; they showed pos. Cotton effects when R belonged to the L series, neg. when R was D. In a typical preparation, the acid chloride from 120 mg. dehydroabietic acid and excess SOCl₂ was refluxed 1 hr. with 44 mg. KSCN in 4 cc. Me₂CO. Morpholine (0.6 cc.) was added, heating continued 10 min., and the mixture kept overnight. Removal of solvent, addition of H₂O and dilute acid, and extraction with Et₂O yielded 86% dehydroabietyl morpholinothiocarbamide, m. 102-4° (hexane), λ (MeOH) 282 and 340 mμ, log ε 4.16 and 2.41. This derivative showed a pos. Cotton effect, while that of acetoxypodocarpic acid showed a neg. one; the 2 substances differed stereochem. only in configuration at the center adjacent to the CO₂H.

Journal of the American Chemical Society 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, Recommanded Product: Morpholine-4-carbothioamide.

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

Kaneguchi, Akinori published the artcileBilateral muscle atrophy after anterior cruciate ligament reconstruction in rats: Protective effects of anti-inflammatory drug celecoxib., Recommanded Product: 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, the publication is The Knee (2022), 201-212, database is MEDLINE.

BACKGROUND: Muscle atrophy after anterior cruciate ligament (ACL) reconstruction occurs bilaterally and contributes to a decrease in muscle strength. However, effective treatment strategies for ACL reconstruction-induced muscle atrophy have not been established. We examined the effects of anti-inflammatory drug on muscle atrophy after ACL reconstruction. MATERIALS AND METHODS: Rats were divided into groups according to treatment received: untreated control (n = 4), arthrotomy (n = 6), ACL transection (n = 7), ACL reconstruction (n = 8), and ACL reconstruction plus anti-inflammatory drug celecoxib (CBX; 50 mg/kg/day) administration (n = 8). At one-week post-surgery, the muscle fiber cross-sectional area (CSA) in the rectus femoris (RF) and semitendinosus (ST) was measured to assess muscle atrophy. In addition, we examined joint swelling and serum C‑reactive protein (CRP) levels to assess local and systemic inflammation, respectively. RESULTS: Each additional procedure (i.e., arthrotomy, ACL transection, and ACL reconstruction) gradually decreased the muscle fiber CSAs in the RF and ST on both operated and contralateral sides. The degree of muscle fiber atrophy on the operated side was larger than that detected on the contralateral side. Moreover, ACL reconstruction induced joint swelling on the operated side and tended to increase serum CRP levels. CBX lessened the RF atrophy on both sides and was associated with less joint swelling and a smaller increase CRP level; however, it did not affect ST atrophy on either side. CONCLUSIONS: Anti-inflammatory treatments after ACL reconstruction may be effective in lessening muscle atrophy in the quadriceps, but not in the hamstrings.

The Knee published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C17H14F3N3O2S, Recommanded Product: 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide.

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

Sekar, Nagaiyan published the artcileSynthesis of novel styryl derivatives from 4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde, study of their photophysical properties and TD-DFT computations, Synthetic Route of 14294-10-1, the publication is Journal of Luminescence (2014), 8-18, database is CAplus.

Novel fluorescent styryl push-pull compounds having electron donating thiazole unit were synthesized by condensing 4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carbaldehyde with active methylene compounds via classical Knoevenagel condensation. The synthesized styryl mols. were characterized by spectral anal. Photophys. properties of these styryl derivatives were analyzed and the effect of change in solvent polarity and viscosity on their absorptive and emissive properties has been investigated. D. functional theory (DFT) and time dependent-d. functional theory (TD-DFT) computations have been used to understand the structural, mol., electronic and photophys. parameters of push-pull dyes. Bakhshiev and Kawski-Chamma-Viallet correlations were used to calculate the ratio of ground to excited state dipole moment of the synthesized novel styryl compounds

Journal of Luminescence 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 C4H6O3, Synthetic Route of 14294-10-1.

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

Brandt, Florian published the artcile“Clickable” albumin binders for modulating the tumor uptake of targeted radiopharmaceuticals, Recommanded Product: H-Lys(Boc)-OH, the publication is Journal of Medicinal Chemistry (2022), 65(1), 710-733, database is CAplus and MEDLINE.

The intentional binding of radioligands to albumin gains increasing attention in the context of radiopharmaceutical cancer therapy as it can lead to an enhanced radioactivity uptake into the tumor lesions and, thus, to a potentially improved therapeutic outcome. However, the influence of the radioligand’s albumin-binding affinity on the time profile of tumor uptake has been only partly addressed so far. Based on the previously identified N^ε-4-(4-iodophenyl)butanoyl-lysine scaffold, we designed “clickable” lysine-derived albumin binders (cLABs) and determined their dissociation constants toward albumin by novel assay methods. Structure-activity relationships were derived, and selected cLABs were applied for the modification of the somatostatin receptor subtype 2 ligand (Tyr³)octreotate. These novel conjugates were radiolabeled with copper-64 and subjected to a detailed in vitro and in vivo radiopharmacol. characterization. Overall, the results of this study provide an incentive for further investigations of albumin binders for applications in endoradionuclide therapies.

Journal of Medicinal Chemistry 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, Recommanded Product: H-Lys(Boc)-OH.

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

Beall, Edward published the artcileEffects of the backbone and chemical linker on the molecular conductance of nucleic acid duplexes, Safety of 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(2-(((benzhydryloxy)carbonyl)amino)-6-oxo-5H-purin-9(6H)-yl)acetamido)acetic acid, the publication is Journal of the American Chemical Society (2017), 139(19), 6726-6735, database is CAplus and MEDLINE.

Scanning tunneling microscope break junction measurements were used to examine how the mol. conductance of nucleic acids depends on the composition of their backbone and the linker group to the electrodes. Mol. conductances of 10 base-pair-long homoduplexes of DNA, aeg-PNA, γ-PNA, and a heteroduplex of DNA/aeg-PNA with identical nucleobase sequence were measured. The mol. conductance was found to vary by 12-13-fold with the change in backbone. Computational studies showed that the mol. conductance differences between nucleic acids of different backbones correlated with differences in backbone structural flexibility. The mol. conductance was also measured for duplexes connected to the electrode through 2 different linkers, one directly to the backbone and one directly to the nucleobase stack. While the linker caused an order-of-magnitude increase in the overall conductance for a particular duplex, the differences in the elec. conductance with backbone composition were preserved. The highest mol. conductance value(0.06G₀) was measured for aeg-PNA duplexes with a base stack linker. These findings revealed an important new strategy for creating longer and more complex electroactive, nucleic acid assemblies.

Journal of the American Chemical Society published new progress about 186046-83-3. 186046-83-3 belongs to amides-buliding-blocks, auxiliary class Purine,Carboxylic acid,Amine,Benzene,Amide,Others,PNA,, name is 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(2-(((benzhydryloxy)carbonyl)amino)-6-oxo-5H-purin-9(6H)-yl)acetamido)acetic acid, and the molecular formula is C40H35N7O8, Safety of 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(2-(((benzhydryloxy)carbonyl)amino)-6-oxo-5H-purin-9(6H)-yl)acetamido)acetic acid.

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