METHYLPARABEN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O3
Molecular Weight	152.1473
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=LXCFILQKKLGQFO-UHFFFAOYSA-N

InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8O3
Molecular Weight	152.1473
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

Methylparaben (E number E218) is preservative in the food, cosmetic, and pharmaceutical industries. It is completely absorbed through the skin or after ingestion and and it is hydrolyzed to para-hydroxybenzoic acid, and metabolites are rapidly excreted in the urine. Methylparaben is on the FDA generally regarded as safe list.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
L-serine transport 2	Inhibitor 8,504
canonical glycolysis 2	Inhibitor 8,504
RNA biosynthetic process 6	Inhibitor 8,504
DNA biosynthetic process 6	Inhibitor 8,504

Conditions

Condition	Modality	Targets	Highest Phase	Product
Psychotic Disorders 2	Inactive ingredient		Approved 8,583	Olanzapine
Unknown 2,596

C_max

Value	Dose	Co-administered	Analyte	Population
57 nM	62.4 mg single, transdermal	PROPYLPARABEN	METHYLPARABEN serum	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
1.4 μM × h	62.4 mg single, transdermal	PROPYLPARABEN	METHYLPARABEN serum	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
12.2 h	62.4 mg single, transdermal	PROPYLPARABEN	METHYLPARABEN serum	Homo sapiens

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2,252	inhibitor 2,438	inhibitor 2,507	inhibitor 2,217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP2A6 879 CYP2E1 1,060 CYP1A2 2,153 CYP2C19 2,057	UGT1A6 343 UGT1A1 479 UGT1A9 423 UGT2B7 456 UGT2B15 236 UGT1A3 470 UGT1A4 399 UGT1A7 249 UGT1A8 323 UGT1A10 331 UGT2B17 237

Drug as perpetrator

Show entries

Target	Modality	Activity
CYP1A2 2,333	inhibitor 4,027	no [IC50 >10 uM]
CYP2A6 911	inhibitor 4,027	no [IC50 >10 uM]
CYP2C19 2,141	inhibitor 4,027	no [IC50 >10 uM]
CYP2C9 2,497	inhibitor 4,027	no [IC50 >10 uM]
CYP2D6 2,546	inhibitor 4,027	no [IC50 >10 uM]

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Drug as victim

Show entries

Target	Modality	Activity
UGT1A3 470	substrate 4,014	likely
UGT1A4 399	substrate 4,014	likely
UGT1A10 331	substrate 4,014	weak
UGT1A7 249	substrate 4,014	weak
UGT1A8 323	substrate 4,014	weak

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Tox targets

Show entries

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2,263	inhibitor 2,237

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PubMed

Show entries

Title	Date	PubMed
Antibacterial effect of parabens against planktonic and biofilm Streptococcus sobrinus.	2001 Dec	11738348
ER-dependent estrogenic activity of parabens assessed by proliferation of human breast cancer MCF-7 cells and expression of ERalpha and PR.	2001 Dec	11696396
Spalling and sorption of tubing for peristaltic pumps.	2002	12229263
Oestrogenic activity of parabens in MCF7 human breast cancer cells.	2002 Jan	11867263
Evaluation of the health aspects of methyl paraben: a review of the published literature.	2002 Oct	12387298

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Patents

Sample Use Guides

In Vivo Use Guide

Methylparaben is used as a preservative in the food, cosmetic, and pharmaceutical industries. It is administered orally with food or applied topically with cosmetic products.

Route of Administration: Other

In Vitro Use Guide

The fungistatic activity of methyl parahydroxybenzoate was determined against Candida albicans, Trichophyton rubrum, T. mentagrophytes, Microsporum audouini, Geotrichum asteroides, and Cryptococcus neoformans. Methylparaben was effective at concentrations of 150 to 350 mg/ml.