Epirizole

Identification

Name
Epirizole
Accession Number
DB08991
Type
Small Molecule
Groups
Experimental
Description

Epirizole is a nonsteroidal anti-inflammatory drug (NSAID).

Structure
Thumb
Synonyms
  • 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
  • Epirizole
  • Mebron
  • Methopyrimazole
  • Polihexanid
External IDs
DA 398 / DA-398 / Knoll 533
Product Ingredients
IngredientUNIICASInChI Key
Epirizole hydrochloride138HY1BQ0TNot AvailableYJVOCLSBUGKSCI-UHFFFAOYSA-N
International/Other Brands
Karmarte (Toho) / Mebron (Daiichi Sankyo)
Categories
UNII
3B46O2FH8I
CAS number
18694-40-1
Weight
Average: 234.2545
Monoisotopic: 234.111675712
Chemical Formula
C11H14N4O2
InChI Key
RHAXSHUQNIEUEY-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3
IUPAC Name
4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine
SMILES
COC1=CC(C)=NN1C1=NC(C)=CC(OC)=N1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(4R)-limoneneThe risk or severity of adverse effects can be increased when (4R)-limonene is combined with Epirizole.
(R)-warfarinThe risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with (S)-Warfarin.
16-BromoepiandrosteroneThe risk or severity of adverse effects can be increased when Epirizole is combined with 16-Bromoepiandrosterone.
19-norandrostenedioneThe risk or severity of adverse effects can be increased when Epirizole is combined with 19-norandrostenedione.
4-hydroxycoumarinThe risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with 4-hydroxycoumarin.
5-androstenedioneThe risk or severity of adverse effects can be increased when Epirizole is combined with 5-androstenedione.
AbciximabThe risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with Abciximab.
AcebutololEpirizole may decrease the antihypertensive activities of Acebutolol.
AceclofenacThe risk or severity of adverse effects can be increased when Epirizole is combined with Aceclofenac.
Food Interactions
Not Available

References

Synthesis Reference

South African Patent Application 67/4936; January 19, 1968; assigned to Daiichi Seiyaku Company Limited, Japan.

General References
Not Available
External Links
KEGG Drug
D01394
PubChem Compound
3242
PubChem Substance
310264952
ChemSpider
3129
ChEBI
31545
ChEMBL
CHEMBL1411693
Drugs.com
Drugs.com Drug Page
Wikipedia
Epirizole

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)90-92South African Patent Application 67/4936; January 19, 1968; assigned to Daiichi Seiyaku Company Limited, Japan.
Predicted Properties
PropertyValueSource
Water Solubility1.13 mg/mLALOGPS
logP1.56ALOGPS
logP1.45ChemAxon
logS-2.3ALOGPS
pKa (Strongest Basic)2.25ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area62.06 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity62.71 m3·mol-1ChemAxon
Polarizability24.79 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0390000000-9b005e40342ab7df46f0
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00di-3930000000-1626dd87c849d820e5e4

Taxonomy

Description
This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Alkyl aryl ethers
Alternative Parents
Pyrimidines and pyrimidine derivatives / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Pyrimidine / Heteroaromatic compound / Pyrazole / Azole / Azacycle / Organoheterocyclic compound / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on June 10, 2014 17:13 / Updated on October 01, 2018 16:50