Ethyl gallate - CAS 831-61-8
Catalog: |
BB036979 |
Product Name: |
Ethyl gallate |
CAS: |
831-61-8 |
Synonyms: |
ethyl 3,4,5-trihydroxybenzoate |
Application: |
anti-oxidant |
IUPAC Name: | ethyl 3,4,5-trihydroxybenzoate |
Description: | Ethyl gallate obviously decreases cell proliferation in MDA-MB-231 and MCF-7 cells in a dose- and time-dependent manner, exhibits cytotoxicity in a dose-dependent manner. Ethyl gallate can inhibit the abilities of invasion of breast cancer in vitro by inhibiting the mRNA levels of MMP-9/MMP-2, phosphorylation of Akt and protein expression of NF-κB. Ethyl gallate inhibits hydrogen peroxide signaling, may represent an alternative class of vasopressors for use in septic shock. Ethyl gallate suppresses proliferation and invasion in human breast cancer cells by modulating the PI3K/Akt pathway, which may contribute to inhibiting their downstream targets such as NF-κB p-65, Bcl-2/Bax, and mRNA levels of MMP-2 and MMP-9 in breast cancer cells, could be used as potential antioxidants with safe therapeutic application in cancer chemotherapy. |
Molecular Weight: | 198.17 |
Molecular Formula: | C9H10O5 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
InChI: | InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 |
InChI Key: | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
Boiling Point: | 447.3 ℃ at 760 mmHg |
Melting Point: | 160 - 162 °C |
Purity: | > 98 % |
Density: | 1.424 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00016430 |
LogP: | 0.98010 |
Quality Standard: | Enterprise Standard |
Publication Number | Title | Priority Date |
CN-113425675-A | Calcium zinc gluconate oral solution and preparation method thereof | 20210705 |
CN-113456655-A | New application of propyl gallate synergistic anti-streptococcus suis antibiotic | 20210629 |
CN-113332342-A | Traditional Chinese medicine extract for resisting oral helicobacter pylori, oral care product and preparation method thereof | 20210624 |
CN-113303399-A | Plant compound extract and preparation method thereof | 20210511 |
CN-113201177-A | Nano freshness protection package material and preparation method and application thereof | 20210409 |
PMID | Publication Date | Title | Journal |
23220003 | 20130225 | Glyoxal and methylglyoxal: autoxidation from dihydroxyacetone and polyphenol cytoprotective antioxidant mechanisms | Chemico-biological interactions |
22993859 | 20120701 | [Phenolic acid derivatives from Alchornea trewioides] | Yao xue xue bao = Acta pharmaceutica Sinica |
22449241 | 20120601 | Antibacterial activity of wine phenolic compounds and oenological extracts against potential respiratory pathogens | Letters in applied microbiology |
22475000 | 20120523 | Identifying new lignin bioengineering targets: impact of epicatechin, quercetin glycoside, and gallate derivatives on the lignification and fermentation of maize cell walls | Journal of agricultural and food chemistry |
22499559 | 20120501 | Synergy study of the inhibitory potential of red wine polyphenols on vascular smooth muscle cell proliferation | Planta medica |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.05282342 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.05282342 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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