General
Preferred name
Orthocetamol
Synonyms
2-Acetamidophenol ()
N-acetyl-2-Aminophenol ()
P&D ID
PD158322
CAS
57047-65-1
614-80-2
Tags
available
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 2-Acetamidophenol (Orthocetamol) is a regulator that targets ferroptosis and glutathione metabolic pathways, is the ortho-regioisomer of Paracetamol (HY-66005). 2-Acetamidophenol has anti-atherosclerotic activity, and inhibiting total cholesterol (TC) and triglyceride (TG) in a zebrafish hyperlipidemia model with IC50s for 30 ¦ÌM and 40 ¦ÌM, respectively. 2-Acetamidophenol upregulates the expression of glutathione synthesis-related genes (such as GCLC, GCLM, GSS) and iron ion transport genes (such as FPN1, FTH), reduces the accumulation of intracellular reactive oxygen species (ROS) and ferrous ions (Fe2+), and enhances the activity of glutathione peroxidase GPX4, thereby inhibiting macrophage phagocytosis of oxidized low-density lipoprotein (ox-LDL) and foam cell formation[1][2].
PRICE 29
DESCRIPTION 2-Acetamidophenol (Orthocetamol) has analgesic and antipyretic effects. 2-Acetamidophenol is an isomer of Paracetamol (4-acetamidophenol).
Cell lines
1
Organisms
0
Compound Sets
2
Cayman Chemical Bioactives
35829
MedChem Express Bioactive Compound Library
HY-W015600
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
151.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.35
TPSA
49.33
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Ferroptosis
Glutathione Peroxidase
LDLR
Reactive Oxygen Species (ROS)
Reactive Oxygen Species
Pathway
Apoptosis
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
NF-¦ÊB
Source data