Jump to section
IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyEpirizole
Identification
- Name
- Epirizole
- Accession Number
- DB08991
- Type
- Small Molecule
- Groups
- Experimental
- Description
Epirizole is a nonsteroidal anti-inflammatory drug (NSAID).
- Structure
- 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
Ingredient UNII CAS InChI Key Epirizole hydrochloride 138HY1BQ0T Not Available YJVOCLSBUGKSCI-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
Drug Interaction (R)-warfarin The risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with (R)-warfarin. (S)-Warfarin The risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with (S)-Warfarin. 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid The risk or severity of renal failure, hyperkalemia, and hypertension can be increased when Epirizole is combined with 1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid. 1-benzylimidazole The risk or severity of hypertension can be increased when 1-benzylimidazole is combined with Epirizole. 2,5-Dimethoxy-4-ethylamphetamine The risk or severity of hypertension can be increased when 2,5-Dimethoxy-4-ethylamphetamine is combined with Epirizole. 2,5-Dimethoxy-4-ethylthioamphetamine The risk or severity of hypertension can be increased when Epirizole is combined with 2,5-Dimethoxy-4-ethylthioamphetamine. 3,4-Methylenedioxyamphetamine The risk or severity of hypertension can be increased when 3,4-Methylenedioxyamphetamine is combined with Epirizole. 4-Bromo-2,5-dimethoxyamphetamine The risk or severity of hypertension can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Epirizole. 4-hydroxycoumarin The risk or severity of bleeding and hemorrhage can be increased when Epirizole is combined with 4-hydroxycoumarin. 4-Methoxyamphetamine The risk or severity of hypertension can be increased when 4-Methoxyamphetamine is combined with Epirizole. - 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
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 90-92 South African Patent Application 67/4936; January 19, 1968; assigned to Daiichi Seiyaku Company Limited, Japan. - Predicted Properties
Property Value Source Water Solubility 1.13 mg/mL ALOGPS logP 1.56 ALOGPS logP 1.45 ChemAxon logS -2.3 ALOGPS pKa (Strongest Basic) 2.25 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 62.06 Å2 ChemAxon Rotatable Bond Count 3 ChemAxon Refractivity 62.71 m3·mol-1 ChemAxon Polarizability 24.79 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available LC-MS/MS Spectrum - LC-ESI-qTof , Positive LC-MS/MS Not Available MS/MS Spectrum - , positive LC-MS/MS splash10-000i-0390000000-9b005e40342ab7df46f0 MS/MS Spectrum - , positive LC-MS/MS splash10-00di-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 November 02, 2018 09:07