Ethers are a class of organic compounds that contain an ether group—an oxygen atom connected to two alkyl or aryl groups. 530-59-6, formula is C11H12O5, Name is 3,5-Dimethoxy-4-hydroxycinnamic acid.They have the general formula R–O–R′, where R and R′ represent the alkyl or aryl groups. Name: 3,5-Dimethoxy-4-hydroxycinnamic acid.
Paul, Dipayan;Mahanta, Saurov;Tag, Hui;Das, Sanjib Kumar;Das Gupta, Debmalya;Tanti, Bhaben;Ananthan, Rajendran;Das, Ranjan;Jambhulkar, Sanjay;Hui, Pallabi Kalita research published 《 Identification of tyrosine kinase inhibitors from Panax bipinnatifidus and Panax pseudoginseng for RTK-HER2 and VEGFR2 receptors, by in silico approach》, the research content is summarized as follows. Breast and stomach cancer is reported as a leading cause for human mortality across the world. The overexpression of receptor tyrosine kinase (RTK) proteins, namely the human epidermal growth factor receptor2 (HER2) and the vascular endothelial growth factor receptor2 (VEGFR2), is reported to be responsible for development and metastasis of breast and stomach cancer. Although several synthetic tyrosine kinase inhibitors (TKIs) as drug candidates targeting RTK-HER2 and VEGFR2 are currently available in the market, these are expensive with the reported side effects. This confers an opportunity for development of alternative novel tyrosine kinase inhibitors (TKIs) for RTK-HER2 and VEGFR2 receptors from the botanical sources. In the present study, we characterized 47 bioactive phytocompounds from the methanol extracts of the rhizomes of Asiatic traditional medicinal herbs-Panax bipinnatifidus and Panax pseudoginseng, of Indian Himalayan landraces using HPLC, GC-MS and high-sensitivity LC-MS tools. We performed mol. docking and mol. dynamics simulation anal. using Schrodinger suite 2020-3 to confirm the TKI phytocompounds showing the best binding affinity towards RTK-HER2 and VEGFR2 receptors. The results of mol. docking studies confirmed that the phytocompound (ligand) luteolin 7-O-glucoside (IHP15) showed the highest binding affinity towards receptor HER2 (PDB ID: 3PP0) with docking score and Glide g score (G-Score) of – 13.272, while chlorogenic acid (IHP12) showed the highest binding affinity towards receptor VEGFR2 (PDB ID: 4AGC) with docking score and Glide g score (G-Score) of – 10.673. Mol. dynamics (MD) simulation anal. carried out for 100 ns has confirmed strong binding interaction between the ligand and receptor complex [luteolin 7-O-glucoside (IHP15) and HER2 (PDB ID: 3PP0)] and is found to be stabilized within 40 to 100 ns of MD simulation, whereas ligand-receptor complex [chlorogenic acid (IPH12) and VEGFR2 (PDB ID: 4AGC)] also showed strong binding interaction and is found to be stabilized within 18-30 ns but slightly deviated during 100 ns of MD simulation. In silico ADME-Tox study using SwissADME revealed that the ligands luteolin 7-O-glucoside (IHP15) and chlorogenic acid (IHP12) have passed majority parameters of the common drug discovery rules. The present study has confirmed luteolin 7-O-glucoside (IHP15) and chlorogenic acid (IHP12) as potential tyrosine kinase inhibitors (TKIs) which were found to inhibit RTKs-HER2 and VEGFR2 receptor proteins, and thus paving the way for development of alternative potential TKIs (drug mols.) for treatment of HER2- and VEGFR2-pos. breast and stomach cancer.
Name: 3,5-Dimethoxy-4-hydroxycinnamic acid, Sinapinic acid is a chemical compound that is the dihydroxybenzoic acid derivative of sinapic acid. It has been shown to have anti-inflammatory properties in vitro and in vivo. Sinapinic acid inhibits the activity of various enzymes, such as cyclooxygenase (COX), lipoxygenase (LOX), and 5-lipoxygenase-activating protein (FLAP). It also decreases levels of adhesion molecules and downregulates inflammatory response genes. Sinapinic acid has been shown to reduce inflammation by inhibiting the formation of proinflammatory mediators, such as prostaglandin E2 or leukotriene B4, in endothelial cells and mammary epithelial cells.
Sinapic acid is a phenylpropanoid hydroxycinnamic acid with diverse biological activities. Sinapic acid inhibits collagen-induced human platelet aggregation by up to 70% in vitro (IC50 = 1.03 mM). It scavenges 2,2-diphenyl-1-picrylhydrazyl (DPPH; ) and 2,2′-azino-bis-(3-ethylbenzothiazoline-6-sulfonate) (ABTS) free radicals with IC50 values of 8.3 and 5.4 μg/ml, respectively. Sinapic acid (200 μM) reduces colony formation of SW480 human colon carcinoma cells by 4-fold. It also inhibits colony formation of E. coli, S. enteritidis, and S. aureus on agar (MICs = 2.2, 2, and 1.8 mM, respectively). In vivo, sinapic acid (4 mg/kg, p.o.) increases the time spent in the open arms of the elevated plus maze by approximately 15% in mice, an effect that can be blocked by the GABAA receptor antagonists flumazenil and bicuculline. Sinapic acid is also commonly used as a matrix in protein mass spectrometry.
Sinapic acid analytical standard provided with w/w absolute assay, to be used for quantitative titration.
Sinapic acid is an hydroxycinnamic acid derivative that occurs naturally in Brassicaceae species.
cis-Sinapic acid, also known as cis-sinapate or synapitic acid, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. cis-Sinapic acid is considered to be a practically insoluble (in water) and relatively neutral molecule. Within the cell, cis-sinapic acid is primarily located in the cytoplasm. Outside of the human body, cis-sinapic acid can be found in common pea and pulses. This makes cis-sinapic acid a potential biomarker for the consumption of these food products.
Cis-sinapic acid is a 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid in which the double bond has cis-configuration. It has been isolated from the shoots of alfalfa. It has a role as a plant metabolite., 530-59-6.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem