Day: December 6, 2022

Ceballos, Liena published the artcileOptimization of a HS-SPME/GC-MS method for determination of volatile compounds in some Cuban unifloral honeys, Name: 5-Methyl-2-phenylhex-2-enal, the main research area is honey volatile compound HS SPME GC MS Cuba.

A headspace (HS)/solid phase microextraction (SPME)/gas chromatog.-mass spectrometry (GC-MS) method was developed to determine the profiles of volatile compounds from three Cuban unifloral honeys: Turbina corymbosa (L.) Raf., Ipomoea triloba L. and Gouania polygama (Jacq.) Urb. The optimization of the extraction conditions was carried out by response surface methodol. The anal. conditions of the optimized HS-SPME method were: 65 μm PDMS/DVB fiber, 6 g honey, 3 mL water and 20% weight/weight sodium chloride, 20 min for pre-extraction, 30 min for extraction at 60C and 4 min for GC desorption. The GC-MS anal. allowed the identification of 181 volatile compounds in these honeys. Possible markers for the floral classification of honeys were for the T. corymbosa type: 4-Me methoxysalicylate, trans-pinocarveol, chavicol, Me anisate, trans-α-bergamotene and α-bisabolol. In I. triloba honey, 2,5,5-trimethyl-3-tetrahydrofuranone and 1,2-diphenylethanol were found, while 4-methyl-1-pentanol and isopentyl acetate were only present in G. polygama honey. With the use of the HS-SPME method in combination with multivariate anal. techniques such as Principal Component Anal. and K-nearest neighbor, it was possible to discriminate the different honeys according to their floral origin.

Journal of Food Quality published new progress about Apis mellifera. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Name: 5-Methyl-2-phenylhex-2-enal.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Li, Gen published the artcileP(III)/P(V)-Catalyzed Methylamination of Arylboronic Acids and Esters: Reductive C-N Coupling with Nitromethane as a Methylamine Surrogate, Related Products of isoquinoline, the main research area is arylation nitromethane arylboronic acid organophosphorus catalyzed reductive coupling.

The direct reductive N-arylation of nitromethane by organophosphorus-catalyzed reductive C-N coupling with arylboronic acid derivatives is reported. This method operates by the action of a small ring organophosphorus-based catalyst (1,2,2,3,4,4-hexamethylphosphetane P-oxide) together with a mild terminal reductant hydrosilane to drive the selective installation of the methylamino group to (hetero)aromatic boronic acids and esters. This method also provides for a unified synthetic approach to isotopically labeled N-methylanilines from various stable isotopologues of nitromethane (i.e., CD3NO2, CH315NO2, and 13CH3NO2), revealing this easy-to-handle compound as a versatile precursor for the direct installation of the methylamino group.

Journal of the American Chemical Society published new progress about Amination (Me). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Shuqi published the artcileCharacterization of the key aroma-active compounds in Yongchuan douchi (fermented soybean) by application of the sensomics approach, Synthetic Route of 21834-92-4, the main research area is aroma active compound Yongchuan douche fermented soybean sensomics; AEDA; GC–MS; GC–O; OAV; aroma-active compounds; douchi.

Yongchuan douchi is a traditional fermented soya bean product which is popular in Chinese dishes due to its unique flavor. In this study, the key aroma-active compounds of Yongchuan douchi were characterized by the combined gas chromatog.-olfactometry (GC-O) and gas chromatog.-mass spectrometry (GC-MS) with sensory evaluation. In total, 49 aroma compounds were sniffed and identified, and 20 of them with high flavor dilution factors (FD) and odor activity values (OAVs) greater than one were screened by applied aroma extract dilution anal. (AEDA) and quantitated anal. Finally, aroma recombination and omission experiments were performed and 10 aroma-active compounds were thought to have contributed significantly including 2,3-butanedione (butter, cheese), di-Me trisulfide (garlic-like), acetic acid (pungent sour), acetylpyrazine (popcorn-like), 3-methylvaleric acid (sweaty), 4-methylvaleric acid (sweaty), 2-mehoxyphenol (smoky), maltol (caramel), γ-nonanolactone (coconut-like), eugenol (woody) and phenylacetic acid (flora). In addition, sensory evaluation showed that the flavor profile of Yongchuan douchi mainly consisted of sauce-like, sour, nutty, smoky, caramel and fruity notes.

Molecules published new progress about Allium sativum. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Synthetic Route of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Quelal-Vasconez, Maribel Alexandra published the artcileAutomatic and non-targeted analysis of the volatile profile of natural and alkalized cocoa powders using SBSE-GC-MS and chemometrics, Computed Properties of 21834-92-4, the main research area is alkalized cocoa powder volatile profile SBSE GC MS chemometrics; Alkalized cocoa powder; Chemometrics; PARAFAC2; PLS-DA; SBSE-GC–MS; Volatile compounds.

A total of 56 key volatile compounds present in natural and alkalized cocoa powders have been rapidly evaluated using a non-target approach using stir bar sorptive extraction gas chromatog. mass spectrometry (SBSE-GC-MS) coupled to Parallel Factor Anal. 2 (PARAFAC2) automated in PARADISe. Principal component anal. (PCA) explained 80% of the variability of the concentration, in four PCs, which revealed specific groups of volatile characteristics. Partial least squares discriminant anal. (PLS-DA) helped to identify volatile compounds that were correlated to the different degrees of alkalization. Dynamics between compounds such as the acetophenone increasing and toluene and furfural decreasing in medium and strongly alkalized cocoas allowed its differentiation from natural cocoa samples. Thus, the proposed comprehensive anal. is a useful tool for understanding volatiles, e.g., for the quality control of cocoa powders with significant time and costs savings.

Food Chemistry published new progress about Alkalinization. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Computed Properties of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Heng published the artcileDBU-Promoted Intramolecular Crossed Aldol Reaction: A Facile Access to Indane-Fused Pyrrolidine, Application In Synthesis of 86-51-1, the main research area is DBU catalyst intramol cross aldol addition; indane fused pyrrolidine preparation.

A new strategy for the facile synthesis of indane-fused pyrrolidines through DBU-promoted intramol. crossed aldol reaction has been developed. The efficiency, compatibility and practicality of this method were demonstrated by a broad substrate scope, mild reaction conditions and gram-scale synthesis. The further derivatizations of the synthesized diastereoisomers I and II were performed for arylation, alkenylation, amination and etherification, showing high diastereoselectivities. Deuterium labeling experiment suggests a possible carbocation process which leads to the high diastereoselectivity during the transformations of I and II. Based on this strategy, the 5-HT2C agonist III and the antihypertensive agent IV were successfully synthesized through a three-step synthetic pathway. This new strategy potentially enables a wide exploration of these indane-fused derivatives applied for pharmaceuticals and related fields.

European Journal of Organic Chemistry published new progress about Aldol addition. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Application In Synthesis of 86-51-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yuan, Rui published the artcileSynthesis of 1,7-bis (N-substituted-aminomethyl)-2,8-dihydroxy-Troger’s bases and their application in Aldol-Ullmann reaction, Quality Control of 86-51-1, the main research area is aminomethyl dihydroxy Troger base preparation anti tumor human; hydroxylcoumarin electrophile Aldol Ullmann.

1,7-Bis (N-substituted-aminomethyl)-2,8-dihydroxy-Troger’s bases I (R = CH3, n-C4H9, C6H11, etc.) were synthesized and used as efficient organocatalyst for the Aldol reaction of 4-hydroxylcoumarin and 2-benzylidenemalononitrile (or Me (ethyl)-2-cyano-3-phenylacrylate) to afford 2-amino-4-aryl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitriles II (R1 = H, p-F, p-OCH3, etc.; R2 = CN, COOMe, COOEt). Subsequently, they were used as the efficient ligand to promote the Pd-catalyzed Aldol-Ullmann reaction to give III (R = 4-OH, 2-OCH3, 4-F, etc.) and IV (R = 5-CH3, 5-OCH3, 5-Cl, etc.), resp. The anti-cancer activity on human three pos. breast cancer cells (MCF-7), human three neg. breast cancer cells (MDA-MB-231), human hepatoma cells (HepG2), human hepatoma cells (MHCC-97H) and cytotoxicity on human hepatocyte cells (LO2) of catalyst I and all products in vitro were evaluated. I (R = CH3) had selective inhibition (inhibition rate>30%) on MCF-7 cells while I (R = 1-phenylmethyl) and I (R = pyridin-2-methyl) had selective inhibition on MDA-MB-231 cells. II (R1 = 3,4,5-(OCH3)3; R2 = CN) had strong inhibitory effects on three kinds of cancer cells except MDA-MB-231 while II (R1 = p-Br; R2 = CN), II (R1 = 2,4-Cl2; R2 = CN), II (R1 = o-F; R2 = CN) and II (R1 = o-Br; R2 = CN) had strong inhibitory effects on four kinds of cancer cells. However, all the compounds showed cytotoxicity to normal LO2 cells which prompts the necessary of structure modification to reduce the toxicity.

Youji Huaxue published new progress about Aldol addition. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Quality Control of 86-51-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Lei published the artcileNovel HIV-1 capsid-targeting small molecules of the PF74 binding site, Related Products of isoquinoline, the main research area is HIV1 capsid targeting antiviral PF74 binding site; Capsid-targeting antivirals; HIV-1; Metabolic stability; PF74.

The PF74 (I) binding site in HIV-1 capsid protein (CA) is a compelling antiviral drug target. Although PF74 confers mechanistically distinct antiviral phenotypes by competing against host factors for CA binding, it suffers from prohibitively low metabolic stability. Therefore, there has been increasing interest in designing novel sub-chemotypes of PF74 with similar binding mode and improved metabolic stability. We report herein our efforts to explore the inter-domain interacting indole moiety for designing novel CA-targeting small mols. Our design includes simple substitution on the indole ring, and more importantly, novel sub-chemotypes with the indole moiety replaced with a few less electron-rich rings. All 56 novel analogs were synthesized and evaluated for antiviral activity, cytotoxicity, and impact on CA hexamer stability. Selected analogs were tested for metabolic stability in liver microsomes. Mol. modeling was performed to verify compound binding to the PF74 site. In the end, 5-hydroxyindole analogs (8,9 and 12, II – IV, resp.) showed improved potency (up to 20-fold) over PF74. Of the novel sub-chemotypes, α- and β-naphthyl analogs (27 and 33, V and VI, resp.) exhibited sub micromolar antiviral potencies comparable to that of PF74. Interestingly, although only moderately inhibiting HIV-1 (single-digit micromolar EC50s), analogs of the 2-indolone sub-chemotype consistently lowered the m.p. (Tm) of CA hexamers, some with improved metabolic stability over PF74.

European Journal of Medicinal Chemistry published new progress about AIDS (disease). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Sun, Lin published the artcileDesign, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities, Product Details of C8H11NO, the main research area is amino acid benzenesulfonamide phenylalanine antiviral structure activity HIV1 pharmacokinetic; anti AIDS agent CA protein inhibitor MD simulation virion; mol docking hydrogen bond benzenesulfonamide phenylalanine metabolic stability; peptidomimetic peptide coupling drug design toxicity.

HIV-1 CA protein has gained remarkable attention as a promising therapeutic target for the development of new antivirals, due to its pivotal roles in HIV-1 replication (structural and regulatory). Herein, we report the design and synthesis of three series of benzenesulfonamide-containing phenylalanine derivatives obtained by further structural modifications of PF-74 to aid in the discovery of more potent and drug-like HIV-1 CA inhibitors. Structure-activity relationship studies of these compounds led to the identification of new phenylalanine derivatives with a piperazinone moiety, represented by compound (I), which exhibited anti-HIV-1NL4-3 activity 5.78-fold better than PF-74. Interestingly, I also showed anti-HIV-2ROD activity (EC50 = 31 nΜ), with almost 120 times increased potency over PF-74. However, due to the higher significance of HIV-1 as compared to HIV-2 for the human population, this manuscript focused on the mechanism of action of our compounds in the context of HIV-1. SPR studies on representative compounds confirmed CA as the binding target. The action stage determination assay demonstrated that these inhibitors exhibited antiviral activities with a dual-stage inhibition profile. The early-stage inhibitory activity of compound I was 6.25 times more potent as compared to PF-74, but appears to work via accelerating capsid core assembly rather than stabilization. However, the mechanism by which they exert their antiviral activity in the late-stage appears to be the same as PF-74 with less infectious HIV-1 virions are produced in their presence as judged p24 content studies. MD simulations provided the key rationale for the promising antiviral potency of I. Addnl., I exhibited modest increase in HLM and human plasma metabolic stabilities as compared to PF-74, as well as moderately improved pharmacokinetic profile, favorable oral bioavailability, and no acute toxicity. These studies provide insights and serves as a starting point for subsequent medicinal chem. efforts in optimizing these promising HIV inhibitors.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Product Details of C8H11NO.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Bae, Eun Jung published the artcilePeripheral Selective Oxadiazolylphenyl Alanine Derivatives as Tryptophan Hydroxylase 1 Inhibitors for Obesity and Fatty Liver Disease, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is oxadiazolylphenyl alanine derivative preparation TPH1 inhibitor obesity fatty liver.

Tryptophan hydroxylase 1 (TPH1) has been recently suggested as a promising therapeutic target for treating obesity and fatty liver disease. A new series of 1,2,4-oxadiazolylphenyl alanine derivatives were identified as TPH1 inhibitors. Among them, compound 23a was the most active in vitro, with an IC50 (half-maximal inhibitory concentration) value of 42 nM, showed good liver microsomal stability, and showed no significant inhibition of CYP and hERG. Compound 23a inhibited TPH1 in the peripheral tissue with limited BBB penetration. In high-fat diet-fed mice, 23a reduced body weight gain, body fat, and hepatic lipid accumulation. Also, 23a improved glucose intolerance and energy expenditure. Taken together, compound 23a shows promise as a therapeutic agent for the treatment of obesity and fatty liver diseases.

Journal of Medicinal Chemistry published new progress about Adipose tissue. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Recommanded Product: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Alqahtani, Mona A. published the artcileBio fabrication of silver nanoparticles with antibacterial and cytotoxic abilities using lichens, Related Products of isoquinoline, the main research area is silver nanoparticle antibacterial cytotoxic lichen biofabrication.

Recently, increase bacterial resistance to antimicrobial compounds issue constitutes a real threat to human health. One of the useful materials for bacterial control is Silver nanoparticles (AgNPs). Researchers tend to use biogenic agents to synthesize stable and safe AgNPs. The principal aim of this study was to investigate the ability of lichen in AgNPs formation and to find out their suppression ability to MDR bacteria as well as their cytotoxic activity. In the current study, lichens (Xanthoria parietina, Flavopunctelia flaventior) were collected from the south of the Kingdom of Saudi Arabia. Lichens methanolic extracts were used for conversion of Ag ions to AgNPs. Prepared biogenic AgNPs were characterized by UV-Visible (UV-Vis) Spectroscopy, Transmission electron microscopy (TEM), Dynamic Light Scattering (DLS) and Zeta potential and Energy-Dispersive X-ray Spectroscopy (EDS). Lichens Secondary metabolites were determined by Fourier-Transform IR Spectroscopy (FTIR) and Gas Chromatog.-Mass Spectrometry (GC-MS). The antibacterial activity and synergistic effect of AgNPs were evaluated against pathogenic bacteria, including gram-pos.; Methicillin-resistant Staphylococcus aureus (MRSA), Vancomycin-resistant Enterococcus (VRE), and gram-neg.; (Pseudomonas aeruginosa, Escherichia coli) as well as the reference strains (ATCC) using the agar disk diffusion method. Cytotoxic effect of biogenic AgNPs was tested against HCT 116 (Human Colorectal Cancer cell), MDA-MB-231 (Breast cancer cell), and FaDu (Pharynx cancer cell) by MTT test. TEM imaging showed well-dispersed spherical particles of 1-40 nm size as well as zeta size showed 69-145 nm. Furthermore, FTIR and GC-MS identified various lichen chem. mols. On the other hand, the highest antibacterial activity of AgNPs was noticed against P. aeruginosa, followed by MRSA, VRE, and E. coli. AgNPs influence on gram-neg. bacteria was greater than that on gram-pos. bacteria and their synergistic effect with some antibiotics was noted against examined microbes. Moreover, higher cytotoxicity for biogenic AgNPs against FaDu and HCT 116 cell line in relation to MDA-MB-231 was noted. Given the current findings, the biogenic AgNPs mediated by lichens had pos. antibacterial, synergistic and cytotoxic powers. Therefore, they might be considered as a promising candidate to combat the multi-drug resistance organisms and some cancer cells.

Scientific Reports published new progress about Adenocarcinoma. 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem