Tag: M.W=150-200

Tumskiy, Roman S. published the artcileDocking and antibacterial activity of novel nontoxic 5-arylidenepyrimidine-triones as inhibitors of NDM-1 and MetAP-1, Related Products of isoquinoline, the main research area is docking antibacterial activity nontoxic arylidenepyrimidine trione inhibitor NDM MetAP; 5-arylidene barbituric acids; 5-arylidenepyrimidine-2,4,6(1H,3H,5H)-triones; ADMET; New Delhi metallo-β-lactamase-1; antibacterial activity; cytotoxicity; methionine aminopeptidase-1; molecular docking.

Antibiotic resistance, which occurs through the action of metallo-β-lactamases (NDM-1), is a serious problem in the treatment of infectious diseases. Therefore, the discovery of new NDM-1 inhibitors and promising antibacterial agents as inhibitors of alternative targets (MetAP-1) is important. In this study, a virtual library of 5-arylidene barbituric acids was created and mol. docking was performed for identification of novel possible inhibitors of NDM-1 and MetAP-1. Antibacterial activity (agar well-diffusion assay) and cytotoxicity (alamarBlue assay) of perspective compounds were evaluated. Pharmacokinetic profiles and mol. properties were predicted. We have identified possible novel inhibitors of NDM-1 and MetAP-1 with bacteriostatic activity, most of which are not cytotoxic and have potential excellent drug-likeness properties.

Future Medicinal Chemistry published new progress about Absorption. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, Related Products of isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Pavlyuk, Nazar published the artcileMg-Ni-Ga System: Phase Diagram, Structural and Hydrogenation Properties of MgNi1.25Ga0.75, MgNiGa, and Mg2NiGa3, Recommanded Product: 2,3-Dimethoxybenzaldehyde, the main research area is magnesium nickel gallium phase diagram structural hydrogenation property.

The isothermal section at 473 K of the Mg-Ni-Ga system in the entire composition regime and structural characterizations of the observed ternary phases are reported. The MgNi1+xGa1-x (x = 0.25), MgNiGa, Mg2NiGa3, Mg9-xNi6Ga14-y (x = 0.32, y = 0.84), Mg3Ni2Ga, and MgNi2Ga5 structures were solved and refined from X-ray single crystal diffraction data. MgNi1+xGa1-x (x = 0.25, Fd-3 m, a = 7.0781(2) Å) and MgNiGa (P63/mmc, a = 5.0781(3) Å, c = 8.194(1) Å) crystallize in the Laves phase MgCu2 and MgZn2 structure types, resp. Mg2NiGa3 (Cmcm, a = 5.415(1) Å, b = 8.651(1) Å, c = 8.562(2) Å, Mg2MnGa3-type) represents the orthorhombic derivative of Laves phases. Mg9-xNi6Ga14-y (x = 0.32, y = 0.84, Fd-3 m, a = 19.8621(6) Å) is isostructural with Mg35Cu24Ga53. MgNi2Ga5 (Pnnm, a = 6.2704(1) Å b = 6.6902(1) Å c = 6.0794(1) Å) crystallizes in the MgCo2Ga5-type structure which is derived from tetragonal CoGa3-type. The crystal chem. of these structures is compared and discussed. The hydrogenation properties of the MgNi1+xGa1-x (x = 0.25), MgNiGa, and Mg2NiGa3 Laves phases were studied. MgNi1.25Ga0.75 absorbs up to 2.20 weight% H2, MgNiGa absorbs up to 1.78 weight% H2, and Mg2NiGa3 absorbs up to 1.66 weight% H2.

Journal of Phase Equilibria and Diffusion published new progress about Absorption. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Recommanded Product: 2,3-Dimethoxybenzaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kumar, Jagdeep published the artcileOptical properties of 3-substituted indoles, Formula: C9H10O3, the main research area is phenyl ethenylindole preparation diastereoselective DFT optical property; formylindole phenyl acetic acid condensation.

The optical properties of various donor or acceptor p-Ph substituted ethenyl indoles I (R = H, OH, Cl, etc.; R1 = H, Et, acetyl, benzenesulfonyl) were studied in solvents of varying polarity using absorption, fluorescence and TDDFT methods. Ethenyl indole exhibits non-linear optical properties (NLO) in a substituent dependent manner. Compound with a strong electron-attracting substituent-, shows large NLO properties with charge transfer behavior, whereas ethenyls with moderate electron withdrawing or electron donating substituent exhibit lower NLO properties with non polar excited state. A highly dipolar excited state for p-nitro Ph substituted ethenyl indoles (μe: 18.2-27.1 debye; Δμ: 9.4-17.8 debye) is observed as compared to other ethenyls (μe: 6.6-9.5 debye; Δμ: 4.2-6.2 debye). From TDDFT study, it is shown that the HOMO-LUMO energy of ethenyl is increased with increasing the electron donating ability of the p-Ph substitution. The optical band gap of ethenyl I (R = R1 = H, II) without substitution, is decreased upon p-Ph substitution either with an electron withdrawing (Cl, NO2) or an electron donating (OCH3, OH, NH2) substituent. The compound with a strong electron accepting, p-nitrophenyl ethenyl indole I (R = NO2, R1 = H, III) shows 12 times better NLO response as compared to the reference ethenyl indole II (β: III: 115 x 10-30 esu-1 cm5, II: 9 x 10-30 esu-1 cm5). Ethenyls I (R = Cl, H, OMe, OH, NH2; R1 = H) bearing a weak or moderately electron withdrawing or electron accepting substituent, exhibit lower NLO response. The β of ethenyl is increased with increasing the order of electron withdrawing nature of Ph ring. Overall, a correlation of β with the optical band gap, ground state dipole moment, % of charge transfer in the ground and excited state is found.

RSC Advances published new progress about Absorption. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Ren, Zili published the artcileConstruction of oxime ester derivatives of osthole from Cnidium monnieri, and evaluation of their agricultural activities and control efficiency, Application In Synthesis of 104-01-8, the main research area is Cnidium monnieri agricultural activity osthole oxime ester derivative; agricultural activity; natural product; osthole; oxime esters; structural modification.

In order to discover natural-product-based pesticidal candidates, a series of coumarin-like derivatives containing oxime ester fragments at the C-8 position were prepared by structural modification of osthole, a natural plant product isolated from Cnidium monnieri. Their pesticidal activities were evaluated against two typically fruit trees/crop-threatening agricultural pests, Mythimna separata Walker and Tetranychus cinnabarinus Boisduval. Osthole was regioselectively oxidized by selenium dioxide to give the E-isomer, (2′E)-3′-formaldehydylosthole (2). Four key steric structures of 2, (2′E, 4′E)-(o-chloropyrid-3-ylcarbonyl)oximinylosthole (4o), (2′E, 4′E)-(styrylcarbonyl)oximinylosthole (4t), and (2′E, 4′E)-(acetyl)oximinylosthole (4w) were undoubtedly confirmed by X-ray crystallog. Against T. cinnabarinus, it is noteworthy that (2′E, 4′E)-(p-chlorophenylcarbonyl)oximinylosthole (4c) exhibited over three-fold more potent acaricidal activity of the precursor osthole, with especially good control efficiency observed in the glasshouse. Against M. separata, compounds 4c and (2′E, 4′E)-(p-nitrophenylcarbonyl)oximinylosthole (4f) showed the most pronounced growth inhibitory activity. The relationships between their structures and agricultural activities also were studied. These results demonstrate that compound 4c could be further structurally modified as pesticidal agents. It will lay the foundation for future application of osthole derivatives as pesticides.

Pest Management Science published new progress about Acaricides. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application In Synthesis of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Loutrel, Nicholas published the artcileSecond-order perturbations of Kerr black holes: Formalism and reconstruction of the first-order metric, Name: 4-Methoxyphenylacetic acid, the main research area is black holes gravitational wave perturbations quasi reconstruction.

Motivated by gravitational wave observations of binary black hole mergers, we present a procedure to compute the leading-order nonlinear gravitational wave interactions around a Kerr black hole. We describe the formalism used to derive the equations for second-order perturbations. We develop a procedure that allows us to reconstruct the first-order metric perturbation solely from knowledge of the solution to the first-order Teukolsky equation, without the need of Hertz potentials. Finally, we illustrate this metric reconstruction procedure in the asymptotic limit for the first-order quasinormal modes of Kerr. In a companion paper [J. L. Ripley et al., Phys. Rev. D103, 104018 (2021)PRVDAQ2470-001010.1103/PhysRevD.103.104018] we present a numerical implementation of these ideas.

Physical Review D published new progress about Black holes. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Name: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Api, Anne Marie published the artcileEvaluation of the developmental toxicity of α-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde in rats, SDS of cas: 1205-17-0, the main research area is developmental toxicity methylene dioxyhydrocinnamic aldehyde.

The developmental toxicity of a-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde (MMDHCA), a widely used fragrance ingredient, was evaluated for developmental toxicity in Sprague-Dawley rats (25/group; cesarean-sectioning identified 21 to 25 pregnant rats/group). Oral dosages of 0 (corn oil), 62, 125, or 250 mg/kg/day were administered by gavage on days 7 through 17 of gestation (GDs 7 through 17). Rats were observed for viability, clin. signs, body weights, and feed consumption. Necropsy and cesarean sectioning occurred on GD 21. Uteri were examined for number and distribution of implantations, live and dead fetuses, and early and late resorptions. Numbers of corpora lutea were also recorded. Fetuses were weighed and examined for gender, gross external changes, and soft tissue or skeletal alterations. Anal. of dosage preparations verified calculated dosages ±10%. No deaths occurred. Excessive salivation occurred in all groups, but the incidence was increased at 250 mg/kg/day. The 250 mg/kg/day dosage also was associated with a significant increase in the incidences of a clear, red or yellow perioral and/or red perivaginal substance and significant reductions in mean feed consumption and body weight gains (11.6% and 7.4%, resp.) during the entire dosage period. No gross changes attributable to MMDHCA were observed at necropsy. Cesarean section or litter parameters, as well as fetal alterations, were not affected by MMDHCA at 250 mg/kg/day or either of the lower dosages tested. Based on these data, maternal and developmental no-observable-effect levels (NOAELs) of 125 and °250 mg/kg/day, resp., were established for MMDHCA. It is concluded that MMDHCA is not a developmental toxicant in rats under the conditions of this study and dosing regimen.

International Journal of Toxicology published new progress about Body weight. 1205-17-0 belongs to class isoquinoline, name is 2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde, and the molecular formula is C11H12O3, SDS of cas: 1205-17-0.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Doering, Skye R. published the artcileDiscovery of Nanomolar Melanocortin-3 Receptor (MC3R)-Selective Small Molecule Pyrrolidine Bis-Cyclic Guanidine Agonist Compounds Via a High-Throughput “”Unbiased”” Screening Campaign, Computed Properties of 104-01-8, the main research area is energy balance MC3R MC4R melanocortin agonist guanidines body weight.

The central melanocortin-3 and melanocortin-4 receptors (MC3R, MC4R) are key regulators of body weight and energy homeostasis. Herein, the discovery and characterization of first-in-class small mol. melanocortin agonists with selectivity for the melanocortin-3 receptor over the melanocortin-4 receptor are reported. Identified via “”unbiased”” mixture-based high-throughput screening approaches, pharmacol. evaluation of these pyrrolidine bis-cyclic guanidines resulted in nanomolar agonist activity at the melanocortin-3 receptor. The pharmacol. profiles at the remaining melanocortin receptor subtypes tested indicated similar agonist potencies at both the melanocortin-1 and melanocortin-5 receptors and antagonist or micromolar agonist activities at the melanocortin-4 receptor. This group of small mols. represents a new area of chem. space for the melanocortin receptors with mixed receptor pharmacol. profiles that may serve as novel lead compounds to modulate states of dysregulated energy balance.

Journal of Medicinal Chemistry published new progress about Body weight. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Computed Properties of 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Tran, Phuong Diem published the artcileAssessing cocoa aroma quality by multiple analytical approaches, Product Details of C13H16O, the main research area is cocoa bean aroma mass spectrometry HSSPME GCMS.

In this study the quality of 26 fermented cocoa beans from 4 different countries (Vietnam, Indonesia, Peru and Ghana) is assessed by means of both a compositional anal. (amino acids, reducing sugars, polyphenols and lactic acid) and profiling of their volatile aroma composition (Mass Spectrometry (MS)-fingerprinting and Headspace-solid Phase Micro-extraction-Gas Chromatog.-Mass Spectrometry (HS-SPME-GC-MS)) following high roasting processing (30 min at 150 °C). Compared with the labour-intensive measurement of cocoa precursors, MS-fingerprinting on the cocoa headspaces appeared to be a very powerful and fast classification technique. Different cocoa groups were researched having unique organoleptic characteristics which were affected by fermentation, roasting conditions and geog. origin. A clear separation of fine flavor cocoa (Criollo variety), well fermented/roasted cocoa and low quality cocoa could be made. Addnl., the clustering was confirmed by more conventional HS-SPME-GC-MS aroma analyses on the cocoa samples. Several markers for the bean origin/quality were identified. Roasting degrees were also calculated based on typical pyrazine ratios.

Food Research International published new progress about Cocoa beans. 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Product Details of C13H16O.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Jiang, Rui published the artcileIron-Catalyzed Synthesis of Polyfunctional Pyridines from Ketoxime Carboxylates and Nitrones, Application of 2,3-Dimethoxybenzaldehyde, the main research area is trisubstituted pyridine preparation; ketoxime carboxylate nitrone cyclization iron catalyst.

An iron-catalyzed cyclization reaction between ketoxime carboxylates and nitrones was developed to afford trisubstituted pyridines I [R1 = Ph, 4-MeC6H4, 2-furyl, etc.; R2 = Ph, 2-MeC6H4, 2-naphthyl, etc.]. Employing this strategy, a number of trisubstituted pyridines was synthesized with various functional groups in good yields under simple reaction conditions.

ChemistrySelect published new progress about Cyclization. 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Application of 2,3-Dimethoxybenzaldehyde.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hussain, Mulla Althafh published the artcileTotal synthesis of (±)-aspidostomide B, C, regioisomeric N-methyl aspidostomide D and their derivatives, Product Details of C9H10O3, the main research area is aspidostomide B C D analog regioselective synthesis; cyclization total synthesis aspidostomide B C D; dehydration total synthesis aspidostomide B C D; regioselective ring opening total synthesis aspidostomide B C D.

A full account of the total synthesis of aspidostomide B, C, their analogs and our synthetic efforts towards the synthesis of aspidostomide D, which led to the synthesis of regioisomeric N-Me aspidostomide D, its analogs via epoxide opening strategy is presented. The synthesis of regioisomeric N-Me aspidostomide D involves an efficient, five-step sequence, with 36.3% overall yield, starting from 3,4,5-tribromo-1H-pyrrole-2-carboxylic acid. The key features of this protocol are intramol. cyclization, dehydration, oxidation, and a Lewis acid-mediated regioselective epoxide ring opening by C-3 position of 2,5-dibromo-1H-indole to furnish the title compounds

Tetrahedron Letters published new progress about Cyclization. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Product Details of C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem