General
Preferred name
MEHP
Synonyms
DEHP ()
Phthalic Acid Monooctyl Ester ()
Mono-(2-ethylhexyl) phthalate ()
Phthalic acid mono-2-ethylhexyl ester ()
Phthalic acid mono-2-ethylexyl ester ()
rac-Mono(ethylhexyl) Phthalate ()
P&D ID
PD065578
CAS
4376-20-9
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 Mono-(2-ethylhexyl) phthalate (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP). Mono-(2-ethylhexyl) phthalate can promote fatty acid synthesis in hepatocytes by regulating the expression of relevant genes and proteins, contributing to non-alcoholic fatty liver disease (NAFLD)[1].
PRICE 29
DESCRIPTION Phthalic acid mono-2-ethylhexyl ester (Phthalic Acid Monooctyl Ester) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17,20 lyase activity of CYP17. The Cyp17a1 gene is specifically targeted by MEHP, explaining the MEHP-induced suppression of steroidogenesis observed. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
35605
MedChem Express Bioactive Compound Library
HY-W018392
Selleckchem Bioactive Compound Library
mehp
TargetMol Bioactive Compound Library
T0603
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
278.15
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
1
cLogP
3.76
TPSA
63.6
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
CYP17
Endogenous Metabolite
P450 (e.g. CYP17)
MOA
P450
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data