General
Preferred name
PD158314
Synonyms
2,4-Di-tert-butylphenol ()
2,4-DTBP ()
P&D ID
PD158314
CAS
96-76-4
50356-26-8
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 2,4-Di-tert-butylphenol (2,4-DTBP) is an orally active RXR¦Á activator and a human estrogen receptor ligand with anti-inflammatory and antioxidant activities, which can induce apoptosis in tumor cells. 2,4-Di-tert-butylphenol can activate the RXR¦Á subtype in LXR¦Á/RXR¦Á, PPAR¦Ã/RXR¦Á, and hormone receptor ¦Â/RXR¦Á. 2,4-Di-tert-butylphenol also has antiviral and antifungal activities and has the potential to inhibit A¦Â-induced neurotoxicity. 2,4-Di-tert-butylphenol can be used as an intermediate in the preparation of antioxidants and UV stabilizers, and is also used in the manufacture of drugs and fragrances[1][2][3].
PRICE 29
DESCRIPTION 2,4-Di-tert-butylphenol is a common toxic secondary metabolite produced by various groups of organisms. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-W014589
TargetMol Bioactive Compound Library
T9600
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
206.17
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
3.99
TPSA
20.23
Fraction CSP3
0.57
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Amyloid-β
Apoptosis
Fungal
RAR/RXR
Amyloid-¦Â
Pathway
Metabolism
Anti-infection
Metabolic Enzyme/Protease
Neuronal Signaling
Vitamin D Related/Nuclear Receptor
Source data