General
Preferred name
Ethyl gallate
Synonyms
Nipagallin A ()
Phyllemblin ()
gallic acid ethyl ester ()
ETHYLGALLATE ()
Phyllemblin, gallic acid ethyl ester ()
E313 ()
P&D ID
PD065354
CAS
831-61-8
52441-13-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ethyl gallate is a nonflavonoid phenolic compound and also a scavenger of hydrogen peroxide.
PRICE 29
DESCRIPTION Ethyl gallate (gallic acid ethyl ester) 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-??B and inhibits hydrogen peroxide signaling, may represent an alternative class of vasopressors for use in septic shock. Also, 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-??B 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.
DESCRIPTION Ethyl gallate is an ellagitannin that has been found in A. nilotica and has diverse biological activities. It is a food additive with antimicrobial activity. (Enamine Bioactive Compounds)
DESCRIPTION Ethyl gallate (gallic acid ethyl ester) 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 and inhibits hydrogen peroxide signaling, may represent an alternative class of vasopressors for use in septic shock. Also, 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. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
3
Compound Sets
6
Cayman Chemical Bioactives
34193
DrugMAP
DMJ6PB8
Enamine Bioactive Compounds
EBC-151101
MedChem Express Bioactive Compound Library
HY-N0525
Selleckchem Bioactive Compound Library
ethyl-gallate
TargetMol Bioactive Compound Library
T3729
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
198.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.98
TPSA
86.99
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Akt
Bacterial
MMP-2
MMP-9
NF-κB
NF-??
Bcl-2,Caspase
Pathway
Cytoskeletal Signaling
Microbiology/virology
PI3K/Akt/mTOR signaling
Proteases/Proteasome
Anti-infection
Source data