General
Preferred name
APOCYNIN
Synonyms
Acetovanillone ()
Acetoguaiacone ()
NSC 2146 ()
Apocynin (Acetovanillone) ()
Acetovanillone, NSC 209524 ()
4'-Hydroxy-3'-methoxyacetophenone ()
Apocynine ()
Apocynin (NSC 2146) ()
NSC-209524 ()
4-hydroxy-3-methoxyacetophenone ()
Apocynin ()
P&D ID
PD000100
CAS
16522-48-8
498-02-2
Tags
available
drug candidate
Drug Status
investigational
Max Phase
1.0
Drug indication
Cardiovascular disease
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 Apocynin is a selective NADPH-oxidase inhibitor with an IC50 of 10 ¦ÌM[1][2]. Apocynin improves acute lung inflammation in Carrageenan (HY-125474)-induced pleurisy mice model[3]. Apocynin can also be used for cancer research[4]. Apocynin reverses the aging process in mesenchymal stem cells to promote osteogenesis and increases bone mass[5].
PRICE 29
DESCRIPTION Apocynin (NSC 2146) is a specific NADPH-oxidase inhibitor (IC50: 10 ??M).
DESCRIPTION Selective inhibitor of PI 3-kinase gamma (Tocris Bioactive Compound Library)
DESCRIPTION Apocynin, also known as acetovanillone, is a natural organic compound structurally related to vanillin. It has been isolated from a variety of plant sources and is being studied for its variety of pharmacological properties.Apocynin is a selective NADPH-oxidase inhibitor with IC50 of 10 μM. (BOC Sciences Bioactive Compounds)
DESCRIPTION Apocynin has been used in trials studying the treatment of Bronchial Asthma and Chronic Obstructive Pulmonary Disease. It acts as an inhibitor of nicotinamide adenine dinucleotide phosphate oxidase activity. (Enamine Bioactive Compounds)
DESCRIPTION Apocynin (NSC 2146) is a specific NADPH-oxidase inhibitor (IC50: 10 μM). (TargetMol Bioactive Compound Library)
Compound Sets
17
AdooQ Bioactive Compound Library
A11989
BOC Sciences Bioactive Compounds
4-hydroxy-3-methoxyacetophenone-cas-498-02-2-69673
Cayman Chemical Bioactives
11976
ChEMBL Drugs
CHEMBL346919
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12618
Enamine Bioactive Compounds
EBC-12677
Enamine BioReference Compounds
Mcule NIBR MoA Box Subset
MCULE-4549346345
MedChem Express Bioactive Compound Library
HY-N0088
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
apocynin-acetovanillone
TargetMol Bioactive Compound Library
T6391
The Spectrum Collection
Tocris Bioactive Compound Library
4663
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
166.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.6
TPSA
46.53
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
Metabolism
Metabolic Enzyme/Protease
Primary Target
NADPH Oxidase
MOA
Inhibitor
NADPH Oxidase Inhibitors
NADPH oxidase inhibitor
Member status
member
Target
NOX4
NADPH oxidase
NADPH-oxidase
Source data