Month: December 2022

Gasser, Gilles published the artcilePreparation and Biological Evaluation of Di-Hetero-Organometallic-Containing PNA Bioconjugates, Formula: C40H35N7O8, the publication is European Journal of Inorganic Chemistry (2011), 2011(36), 5471-5478, database is CAplus.

Two peptide nucleic acid (PNA) oligomers containing two different organometallic moieties, namely derivatives of azidoferrocene (Fc-N₃) and ferrocene carboxylic acid (Fc-COOH) for PNA5 and derivatives of β-cymantrenoylpropionic acid [Cym-CO(CH₂)₂COOH] and the rhenium bisquinoline tricarbonyl complex [Re(BQ-N₃)(CO)₃]Br for PNA6, have been prepared on a solid support by using two different synthetic methods: Peptide coupling and click chem. PNA5 and PNA6 were unambiguously characterized by ESI-MS or MALDI-TOF MS and their purity checked by LC-MS. As expected, the bioconjugate PNA6 presents two broad and strong absorption bands at 1933 and 2032 cm^-1 in its IR spectrum due to the presence of six metal-carbonyl bonds. It has also been demonstrated that the presence of the Mn complex in PNA6 did not significantly alter the fluorescence properties of the Re complex in aqueous solution compared with a previously reported Re-PNA bioconjugate (PNA7). Photoexcitation of PNA6 at 350 nm reveals two distinct emission bands at about 434 and 595 nm in aqueous solutions PNA6 was successfully electroporated into HeLa cells, as shown by high-resolution continuum-source at. absorption spectroscopy, which was used to measure the concentrations of both Re and Mn. However, no fluorescence of the Re complex in PNA6 was observed in living cells, even at a concentration 20 times higher than that previously reported for PNA7.

European Journal of Inorganic Chemistry 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, Formula: C40H35N7O8.

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

Burger, Klaus published the artcileA surprising access route to α-hetero-substituted methylphosphonate esters, Synthetic Route of 14294-10-1, the publication is Chemiker-Zeitung (1988), 112(3), 108-9, database is CAplus.

A mixture of 2,2-bis(trifluoromethyl)oxazolone I and P(OMe)₃ reacts with thiourea, as well as with N,N-dimethylthiourea, morpholinothioamide, and thioacetamide to give 65% (MeO)₂P(O)CH(SMe)NHCH(CF₃)₂.

Chemiker-Zeitung 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, Synthetic Route of 14294-10-1.

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

Burger, Klaus published the artcileApplication of hexafluoroacetone as protecting and activating reagent in amino acid and peptide chemistry. N-Substituted glycine derivatives from iminodiacetic acid, Name: Morpholine-4-carbothioamide, the publication is Zeitschrift fuer Naturforschung, B: Chemical Sciences (1993), 48(1), 107-20, database is CAplus.

3-Carboxymethyl-2,2-bis(trifluoromethyl)-5-oxazolidinone, obtained on reaction of HN(CH₂CO₂H)₂ with (CF₃)₂CO, represents a preparatively useful intermediate for the synthesis of unsym. substituted derivatives of HN(CH₂CO₂H)₂. The N-substituted glycine derivatives obtained are interesting candidates for peptide modification.

Zeitschrift fuer Naturforschung, B: Chemical Sciences 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, Name: Morpholine-4-carbothioamide.

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

Andreichikov, Yu. S. published the artcileChemistry of oxalyl derivatives of methyl ketones. XXXVIII. [4_π + 2_π]-Cycloaddition of aroylketenes at the CN bond of N-cyanoamines and phenyl cyanate, Application of N,N-Dibenzylcyanamide, the publication is Zhurnal Organicheskoi Khimii (1984), 20(8), 1755-9, database is CAplus.

Heating furandiones I, R = H, Me, Cl, EtO, Br, MeO) gave intermediate Ketenes p-RC₆H₄COCH:CO which cyclize with R¹CN to give oxazinones II (R² = R³ = Et, allyl, Bu, PhCH₂; R² = Me, R³ = Ph), III and IV. Reaction of I (R = H) with o-ClC₆H₄NHCN gave oxazolidinone V.

Zhurnal Organicheskoi Khimii published new progress about 2451-91-4. 2451-91-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Benzene, name is N,N-Dibenzylcyanamide, and the molecular formula is C15H14N2, Application of N,N-Dibenzylcyanamide.

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

Aleksandar, D. published the artcileCorrelation analysis of IR, ¹H-and ¹³C-NMR spectral data of N-alkyl and N-cycloalkyl cyanoacetamides, Formula: C5H8N2O, the publication is Chemical Industry & Chemical Engineering Quarterly (2011), 17(3), 307-314, database is CAplus.

Linear free energy relations (LFER) were applied to the IR, ¹H- and ¹³C-NMR spectral data in N-alkyl and N-cycloalkyl cyanoacetamides. N-alkyl and N-cycloalkyl cyanoacetamides were synthesized from corresponding amine and Et cyanoacetate. A number of substituents were employed for alkyl substitution, and fairly good correlations were obtained, using simple Hammett equation. In N-alkyl and N-cycloalkyl cyanoacetamides substituent cause SCS of N-H hydrogen primarily by steric interaction, polar substituent effect influences SCS shift of C=O carbon, while steric effect of N-alkyl substituent causes IR stretching frequencies of N-H, C=O and CN group. The conformations of studied compounds were studied using semiempirical PM6 method, and together with LFER anal., give a better insight into the influence of such a structure on the transmission of electronic substituent effects. Neg. ρ values for several correlations (reverse substituent effect) were found.

Chemical Industry & Chemical Engineering Quarterly published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Formula: C5H8N2O.

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

Madikizela, Lawrence Mzukisi published the artcileHealth effects and risks associated with the occurrence of pharmaceuticals and their metabolites in marine organisms and seafood, Product Details of C24H29N5O3, the publication is Science of the Total Environment (2022), 155780, database is CAplus and MEDLINE.

A review. Pharmaceuticals and their metabolites are continuously invading the marine environment due to their input from the land such as their disposal into the drains and sewers which is mostly followed by their transfer into wastewater treatment plants (WWTPs). Their incomplete removal in WWTPs introduces pharmaceuticals into oceans and surface water. To date, various pharmaceuticals and their metabolites have been detected in marine environment. Their occurrence in marine organisms raises concerns regarding toxic effects and development of drug resistant genes. Therefore, it is crucial to review the health effects and risks associated with the presence of pharmaceuticals and their metabolites in marine organisms and seafood. This is an important study area which is related to the availability of seafood and its quality. Hence, this study provides a critical review of the information available in literature which relates to the occurrence and toxic effects of pharmaceuticals in marine organisms and seafood. This was initiated through conducting a literature search focussing on articles investigating the occurrence and effects of pharmaceuticals and their metabolites in marine organisms and seafood. In general, most studies on the monitoring of pharmaceuticals and their metabolites in marine environment are conducted in well developed countries such as Europe while research in developing countries is still limited. Pharmaceuticals present in freshwater are mostly found in seawater and marine organisms. Furthermore, the toxicity caused by different pharmaceutical mixtures was observed to be more severe than that of individual compounds

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, Product Details of C24H29N5O3.

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

Alam, Mohammad Mahboob published the artcileNaproxen Based 1,3,4-Oxadiazole Derivatives as EGFR Inhibitors: Design, Synthesis, Anticancer, and Computational Studies, Application of 2-Chloroacetamide, the publication is Pharmaceuticals (2021), 14(9), 870, database is CAplus and MEDLINE.

A library of novel naproxen based 1,3,4-oxadiazole derivatives (8-16 and 19-26) has been synthesized and screened for cytotoxicity as EGFR inhibitors. Among the synthesized hybrids, compound2-(4-((5-((S)-1-(2-methoxynaphthalen-6-yl)ethyl)-1,3,4-oxadiazol-2-ylthio)methyl)-1H-1,2,3-triazol-1-yl)phenol(15) was the most potent compound against MCF-7 and HepG2cancer cells with IC₅₀ of 2.13 and 1.63 μg/mL, resp., and was equipotent to doxorubicin (IC₅₀ 1.62 μg/mL) towards HepG2. Furthermore, compound 15 inhibited EGFR kinase with IC₅₀ 0.41 μM compared to standard drug Erlotinib (IC₅₀ 0.30 μM). The active compound induces a high percentage of necrosis towards MCF-7, HePG2 and HCT 116 cells. The docking studies, DFT and MEP also supported the biol. data. These results demonstrated that these synthesized naproxen hybrids have EGFR inhibition effects and can be used as leads for cancer therapy.

Pharmaceuticals 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 C2H4ClNO, Application of 2-Chloroacetamide.

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

Skorupska, Ewa A. published the artcileDynamic ¹H NMR spectroscopic study of hindered internal rotation in selected N,N-dialkyl isonicotinamides: an experimental and DFT analysis, Formula: C10H14N2O, the publication is Tetrahedron (2013), 69(38), 8147-8154, database is CAplus.

Dynamic ¹H NMR measurements were performed for N,N-dialkyl isonicotinamides (alkyl = Me, Et, and Me₂CH). Two complementary methods of the anal. of these spectra were used, targeting the estimation of rates of alkyl group exchange and thereby parameters for rotation around the C-N bond. The Gibbs free activation energy in DMSO, ΔG_exp^≠, is 67.6, 65.3, and 61.4 kJ mol^-1, resp. This finding was compared with related DFT and MP2 results on simulated solutions, ΔG_calcd^≠s, in search of the best theor. tool reflecting the observed trend that ΔG_exp^≠ reduces with an increasing bulkiness of the N-alkyl group. Especially, the DFT methods recommended for TS geometry and barrier height calculations were used. The barriers to C_ar-C(O) bond rotation were also computed, although not measured exptl. An IRC anal. was also carried out. As a result, the above trend was rationalized by steric hindrance in the ground-state forms under study. The changes in their geometric parameters, including pyramidicity descriptors, are fully consistent with such explanation. Among all DFT methods tested, only the use of the BB1K/6-31+G(d,p)/IEF-PCM(DMSO) protocol afforded ΔG_calcd^≠s fully comparable to the present DNMR determinations

Tetrahedron published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C12H14BNO2, Formula: C10H14N2O.

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

Boyle, Amanda J. published the artcileRepurposing [¹¹C]MC1 for PET Imaging of Cyclooxygenase-2 in Colorectal Cancer Xenograft Mouse Models, Quality Control of 169590-42-5, the publication is Molecular Imaging and Biology (2022), 24(3), 365-370, database is CAplus and MEDLINE.

Cyclooxygenase-2 (COX-2) is a target for inflammation and colorectal cancer (CRC). This study evaluated the COX-2 neuro-PET radiopharmaceutical, [¹¹C]MC1, in CRC xenograft mice. [¹¹C]MC1 was evaluated in ICRscid mice with HT-29 and HCT-116 CRC xenografts, with high and low COX-2 expression, resp., by immunohistochem., cellular uptake, dynamic PET/MR imaging, ex vivo biodistribution, and radiometabolite anal. HT-29 xenografts were well visualized with [¹¹C]MC1 using PET/MR. Time-activity curves revealed steady tumor radioactivity accumulation in HT-29 xenografts that plateaued from 40 to 60 min (3.07 ± 0.65 %ID/g) and was significantly reduced by pre-treatment with MC1 or celecoxib (1.62 ± 0.29 and 1.18 ± 0.21 %ID/g, resp., p = 0.045 and p = 0.005). Radiometabolite anal. showed that [¹¹C]MC1 accounted for >90 % of tumor radioactivity, with <10 % in plasma, at 40 min post-injection of the radiotracer. [¹¹C]MC1 is a promising PET imaging agent for COX-2 in CRC and translation for cancer research should be considered.

Molecular Imaging and Biology 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, Quality Control of 169590-42-5.

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

Richter, Adrian published the artcileEfficient Synthesis of Benzothiazinone Analogues with Activity against Intracellular Mycobacterium tuberculosis, SDS of cas: 14294-10-1, the publication is ChemMedChem (2022), 17(6), e202100733, database is CAplus and MEDLINE.

8-Nitrobenzothiazinones (BTZs) were a promising class of antimycobacterial agents currently under investigation in clin. trials. Starting from thiourea derivatives, a new synthetic pathway to BTZs was established. It allows the formation of the thiazinone ring system in one synthetic step and was applicable for preparation of a wide variety of BTZ analogs. The synthetic procedure furthermore facilitates the replacement of the sulfur atom in the thiazinone ring system by oxygen or nitrogen to afford the analogous benzoxazinone and quinazolinone systems. 36 BTZ analogs were prepared and tested in luminescence-based assays for in vitro activity against Mycobacterium tuberculosis (Mtb) using the microdilution broth method and a high-throughput macrophage infection assay.

ChemMedChem 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