Category: 104-01-8

Wu, Li published the artcileSimultaneous determination of nineteen compounds of Dahuang zhechong pill in rat plasma by UHPLC-MS/MS and its application in a pharmacokinetic study, Application of 4-Methoxyphenylacetic acid, the main research area is dahuang zhechong pill UHPLC tandem MS pharmacodynamic rat plasma; Characteristic constituents; Dahuang zhechong pill; Pharmacokinetics; UHPLC-MS/MS.

Dahuang zhechong pill (DHZCP) is a famous traditional Chinese medicine prescription, which is widely used in the treatment of liver diseases. However, due to the lack of a dynamic DHZCP profile, the in vivo pharmacokinetics of active ingredients within this medicine remains unknown. In this paper, a rapid, sensitive and reliable UHPLC-MS/MS method was used to determine the content of 19 characteristic constituents of DHZCP in rat plasma, including rhein, emodin, chrysophanol, physcion, aloeemodin, p-methoxyphenylacetic acid, hypoxanthine nucleoside, wogonin, wogonoside, baicalin, norwogonin, naringenin, nutmeg acid, paeoniflorin, verbascoside, rhodiola glucoside, forsythoside A, formononetin, and glycyrrhizic acid. An Agilent Extend-C18 column (2.1 mm x 100 mm, 1.8 μm) was used to sep. the 19 characteristic constituents, with a mobile phrase of (A) 0.1% formic acid and (B) acetonitrile. The constituents were detected in neg. ion mode with multiple reactions monitoring (MRM). The established UHPLC-MS/MS method had good linearity, with a coefficient of determination (r2) of >0.99. The daytime and intra-day precision were less than 12%, and the accuracy ranged from -9.56% to 7.82%. The stability, extraction recovery, and matrix effect met the requirements. The method was successfully applied to the pharmacokinetic study of these nineteen characteristic constituents after oral administration of DHZCP. UHPLC-MS/MS was used for the first time to study the pharmacokinetics of the characteristic chem. constituents in DHZCP, which provided reference and theor. guidance for further clarification of its pharmacodynamic basis.

Journal of Chromatography B: Analytical Technologies in the Biomedical and Life Sciences published new progress about Blood plasma. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yuan, Xu published the artcileDesign, synthesis and in vitro evaluation of 6-amide-2-aryl benzoxazole/benzimidazole derivatives against tumor cells by inhibiting VEGFR-2 kinase, Computed Properties of 104-01-8, the main research area is amide aryl benzoxazole preparation antitumor antiangiogenesis VEGFR2 tyrosine kinase; benzimidazole amide aryl preparation antitumor antiangiogenesis VEGFR2 tyrosine kinase; Angiogenesis; Antitumor activity; Benzimidazole; Benzoxazole; VEGFR-2.

A library of thirty-seven 6-amide-2-aryl benzoxazoles I (R1 = H, F, Br, Cl and MeO; R2 = F, Br, Cl, Me and MeO; R3 = H and MeO; X = O; X1 = H and Cl; X2 = H, 2-F, 2-Cl, 2-Br and 3-Br; n = 0, 1)/benzimidazoles I (R1 = H, F, Br and MeO; R2 = Cl, Me and MeO; R3 = H and MeO; R3 = Cl, Me and OMe; X = NH; X1 = Cl; X2 = H; n = 0, 1) has been designed and synthesized based on the highly conserved active site of VEGFR-2. Several title compounds I exhibited selective inhibitory activities against VEGFR-2 than EGFR kinases, which also displayed selective anti-proliferation potency against the HUVEC and HepG2 than the A549 and MDA-MB-231 cancer cell lines. The newly synthesized compounds I were evaluated for anti-angiogenesis capability by chick chorioallantoic membrane (CAM) assay. Among them, compounds I (R1 = R3 = H; R2 = OMe; n = 1; X = NH; X1 = Cl; X2 = H) showed the most potent anti-angiogenesis ability (79% inhibition at 10 nM/eggs), the efficient cytotoxic activities (in vitro against the HUVEC and HepG2 cell lines with IC50 values of 1.47 and 2.57 μM, resp.), and excellent VEGFR-2 kinase inhibition (IC50 = 0.051 μM). The mol. docking anal. revealed that compound I (R1 = R3 = H; R2 = OMe; n = 1; X = NH; X1 = Cl; X2 = H) is a Type II inhibitor of VEGFR-2 kinase. These results indicated that the 6-amide-2-arylbenzoxazoles and 6-amide-2-aryl benzimidazoles I are promising inhibitors of VEGFR-2 kinase for the potential treatment of anti-angiogenesis.

European Journal of Medicinal Chemistry published new progress about Angiogenesis. 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

Gusain, Anamika published the artcileAntiradical Properties of trans-2-(4-substituted-styryl)-thiophene, Computed Properties of 104-01-8, the main research area is trans substituted styryl thiophene antiradical property fluorescence DFT study; Absorption; Antioxidant ability; Bond dissociation energy; Density functional theory; Fluorescence; Ionization energy; Phenol; Proton affinity; Stilbene; Thiophene.

2-Substituted thiophene compounds with electron donating and electron withdrawing p-Ph substitution were synthesized and studied their radical scavenging properties using DPPH assay and DFT method. It is shown that p-hydroxy and p-amino Ph substituted compound exhibit radical scavenging activity. From DFT and radical scavenging studies, a correlation between IC50 with the bond dissociation enthalpy, proton affinity, ground state dipole moment and optical band gap of compound is found. Compounds 1-3 with electron withdrawing substituent (NO2, CN, Cl) do not show any radical scavenging properties, whereas compounds 6-7 with electron donating substituent (OH, NH2) show antiradical properties. Further, the antiradical activity is reduced drastically by replacing the -OH and -NH2 with methoxy and -N-alkylating group resp. in 6 and 7. The compound with p-hydroxy Ph substitution, exhibits stronger antiradical activity as compared to the p-amino Ph substitution due to smaller O-H bond dissociation energy as compared to the N-H bond. From DPPH and DFT studies, it is suggested that the radical scavenging activity in 2-substituted thiophene is occurred through proton transfer mechanism. The other possible SET, SPLET mechanisms are also corroborated.

Journal of Fluorescence published new progress about Antioxidants. 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

Kumar, Jagdeep published the artcileAntioxidant properties of ethenyl indole: DPPH assay and TDDFT studies, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is phenylethenyl indole preparation antioxidant ionization potential UV spectra.

A series of ethenyl indoles (e.g. 3-(4-substituted phenylethenyl-E)-N-H-indole) with various donor or acceptor substituents have been synthesized and their antioxidant properties have been studied. Ethenyl indoles exhibit antioxidant activity in a substituent dependent manner. Ethenyls bearing strong electron withdrawing substituents show weak or no antioxidant activity, whereas ethenyls with electron donating substituents exhibit antioxidant properties comparable to vitamin E. It can be seen from a plot of the percentage of inhibition vs. the antioxidant concentration, that the hydroxy substituted ethenyl indole exhibits good antioxidant properties (50% inhibition concentration (IC50) âˆ?24μM) as compared to the other ethenyls (IC50: 30-63μM) and that it is comparable to vitamin E (IC50 âˆ?26μM). The results are also supported by the computational data obtained through time dependent d. functional theory (TDDFT) calculations From the TDDFT and antioxidant study, it was shown that there is a correlation between the HOMO-LUMO energy, the ground state dipole moment, optical band gap, bond dissociation enthalpy and the ionization potential of the ethenyls with the antioxidant properties. A possible hydrogen and/or electron and proton transfer mechanism is suggested for the quenching of the free radical.

New Journal of Chemistry published new progress about Antioxidants. 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

Galmes, Sebastia published the artcileAbsorption, Distribution, Metabolism, and Excretion of the Main Olive Tree Phenols and Polyphenols: A Literature Review, Formula: C9H10O3, the main research area is review olive tree phenol polyphenol absorption metabolism excretion; bioavailability; hydroxytyrosol; metabolic reactions; oleuropein; olive polyphenols; toxicity.

The effects of olive tree (poly)phenols (OPs) are largely dependent upon their bioavailability and metabolization by humans. Absorption, distribution, metabolism, and excretion (ADME) are fundamental for the nutritional efficacy and toxicol. impact of foods containing OPs. This review includes studies on the administration of hydroxytyrosol (HT), oleuropein (Ole), or other OPs and foods, products, or mixtures that contain them. Briefly, data from in vivo studies indicate that OPs are absorbable by intestinal cells. Both absorption and bioavailability depend upon each compound and/or the matrix in which it is contained. OPs metabolism begins in enterocytes and can also continue in the liver. Metabolic phase I mainly consists of the hydrolysis of Ole, which results in an increase in the HT content. Phase II metabolic reactions involve the conjugation of (poly)phenols mainly with glucuronide and sulfate groups. This review offers a complete perspective of the ADME processes of OPs, which could support the future nutritional and/or toxicol. studies in this area.

Journal of Agricultural and Food Chemistry published new progress about Olea europaea. 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

Tian, Shuai published the artcileNew Theoretical Insights into the Atmospheric Chemistry of Methyl Chavicol Initiated by OH and NO3 Radicals, Application of 4-Methoxyphenylacetic acid, the main research area is atm chem methyl chavicol initiated OH NO3 radical.

Me chavicol, as a volatile oxygenated aromatic biogenic volatile organic compound (BVOC), is emitted in large quantities from a variety of plants. Currently, the high second organic aerosol (SOA) yield (40%) from photochem. oxidation of Me chavicol and its unclear formation mechanism have attracted enormous research interest. In this study, we conducted an in-depth theor. investigation on the atm. oxidation processes of Me chavicol initiated by OH and NO3 radicals using quantum chem. methods. The formation mechanisms for its highly oxidized multifunctional products, such as 2-hydroxy-3-(4-methoxyphenyl)propanal, 2-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanal, 1-hydroxy-3-(4-methoxyphenyl)propan-2-one, and 1-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propan-2-one, have been clarified for the first time, which were detected in the SOA components in the chamber experiment of photo-oxidation of Me chavicol. Hence, gas-phase atm. oxidation of Me chavicol is a probable major contributor to SOA formation arising from biogenic emissions of Me chavicol. The calculated rate coefficient for the gas-phase reaction of Me chavicol with OH radicals is 3.06 × 10-11 cm3 mol.-1 s-1 at 298 K and 1 atm, and the total branching ratios of the formation of IM2, IM3, IM8, IM9, IM10, and IM11 account for the largest proportion (95.18%) of overall branching ratios. The lifetime of Me chavicol with respect to the OH radical is determined to be 4.54 h, indicating a potential effect of Me chavicol photo-oxidation on atm. photochem. and SOA formation relatively far from where it is emitted.

ACS Earth and Space Chemistry published new progress about Air pollution. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Application of 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Kurtanovic, Nezrina published the artcileHuman estrogen receptor α antagonists, part 2: Synthesis driven by rational design, in vitro antiproliferative, and in vivo anticancer evaluation of innovative coumarin-related antiestrogens as breast cancer suppressants, HPLC of Formula: 104-01-8, the main research area is coumarin preparation anticancer antiestrogen ER alpha antagonist pharmacokinetic; Breast cancer; Coumarin-based ERα antagonists; In vitro antiproliferative evaluation; In vivo anticancer evaluation; Synthesis.

New twelve in silico designed coumarin-based ERα antagonists were synthesized and confirmed as selective ERα antagonists, showing potencies ranging from single-digit nanomolar to picomolar. The hits were confirmed as selective estrogen receptor modulators and validated as antiproliferative agents using MCF-7 breast cancer cell lines exerting from picomolar to low nanomolar potency, at the same time showing no agonistic activity within endometrial cell lines. Their mechanism of action was inspected and revealed to be through the inhibition of the Raf-1/MAPK/ERK signal transduction pathway, preventing hormone-mediated gene expression on either genomic direct or genomic indirect level, and stopping the MCF-7 cells proliferation at G0/G1 phase. In vivo experiments, by means of the per os administration to female Wistar rats with pre-induced breast cancer, distinguished six derivatives, 3DQ-4a, 3DQ-2a, 3DQ-1a, 3DQ-1b, 3DQ-2b, and 3DQ-3b, showing remarkable potency as tumor suppressors endowed with optimal pharmacokinetic profiles and no significant histopathol. profiles. The presented data indicate the new compounds as potential candidates to be submitted in clin. trials for breast cancer therapy.

European Journal of Medicinal Chemistry published new progress about Antiestrogens. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, HPLC of Formula: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Meyers, Marvin J. published the artcile4-Aryl Pyrrolidines as Novel Orally Efficacious Antimalarial Agents. Part 2: 2-Aryl-N-(4-arylpyrrolidin-3-yl)acetamides, Formula: C9H10O3, the main research area is aryl pyrrolidinyl acetamide derivative preparation oral malaria.

Malaria is caused by infection from the Plasmodium parasite and kills hundreds of thousands of people every year. Emergence of new drug resistant strains of Plasmodium demands identification of new drugs with novel chemotypes and mechanisms of action. As a follow up to our evaluation of 4-aryl-N-benzylpyrrolidine-3-carboxamides as novel pyrrolidine-based antimalarial agents, we describe herein the structure-activity relationships of the reversed amide homologues 2-aryl-N-(4-arylpyrrolidin-3-yl)acetamides. Unlike their carboxamide homologues, acetamide pyrrolidines do not require a third chiral center to be potent inhibitors of P. falciparum and have good pharmacokinetic properties and improved oral efficacy in a mouse model of malaria. Compound (-)-32a (CWHM-1552) has an in vitro IC50 of 51 nM in the P. falciparum 3D7 assay and an in vivo ED90 of <10 mg/kg/day and ED99 of 30 mg/kg/day in a murine P. chabaudi model. Remarkably, the absolute stereochem. preference for this acetamide series (3S,4R) is opposite of that determined for the homologous carboxamide series. Lead compounds for this class have modest affinities for the hERG channel and inhibit CYP 3A4. Addnl. optimization is needed in order to eliminate these undesired properties from this otherwise promising series of antimalarial compounds ACS Medicinal Chemistry Letters published new progress about Antimalarials. 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

Mambwe, Dickson published the artcileStructure-Activity Relationship Studies Reveal New Astemizole Analogues Active against Plasmodium falciparum In Vitro, Formula: C9H10O3, the main research area is astemizole analog plasmodium falciparum malaria antimalarial.

In the context of drug repositioning and expanding the existing structure-activity relationship around astemizole (AST), a new series of analogs were designed, synthesized, and evaluated for their antiplasmodium activity. Among 46 analogs tested, compounds 21, 30, and 33 displayed high activities against asexual blood stage parasites (PfNF54 IC50 = 0.025-0.043μM), whereas amide compound 46 addnl. showed activity against late-stage gametocytes (stage IV/V; PfLG IC50 = 0.6 ± 0.1μM) and 860-fold higher selectivity over hERG (46, SI = 43) compared to AST. Several analogs displaying high solubility (Sol > 100μM) and low cytotoxicity in the Chinese hamster ovary (SI > 148) cell line have also been identified.

ACS Medicinal Chemistry Letters published new progress about Antimalarials. 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

Cox, Brian published the artcileEscaping from Flatland: Antimalarial Activity of sp3-Rich Bridged Pyrrolidine Derivatives, COA of Formula: C9H10O3, the main research area is pyrrolidine preparation antimalarial activity.

Synthetic photochem. to generate novel sp3-rich scaffolds and report the design, synthesis, and biol. testing of a diverse series of amides based on the 1-(amino-methyl)-2-benzyl-2-aza-bicyclo[2.1.1]hexane scaffold was utilized . Preliminary antimalarial screening of the library provided promising compounds with activity in the 1-5μM range with an enhanced hit rate. Further evaluation (solubility, drug metabolism and pharmacokinetics (DMPK), and toxicity) of a selected compound (9) suggested that this series represents an excellent opportunity for further optimization with the framework offering multiple opportunities for the addition of uniquely vectorally positioned extra functionality.

ACS Medicinal Chemistry Letters published new progress about Antimalarials. 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, COA of Formula: C9H10O3.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem