This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Brand Names
- Bafiertam
- Generic Name
- Monomethyl fumarate
- DrugBank Accession Number
- DB14219
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved, Experimental, Investigational
- Structure
Structure for Monomethyl fumarate (DB14219)
- Weight
- Average: 130.099
Monoisotopic: 130.026608673 - Chemical Formula
- C5H6O4
- Synonyms
- Fumaric acid monomethyl ester
- Methyl hydrogen fumarate
- MMF
- Monomethyl fumarate
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAbatacept The risk or severity of adverse effects can be increased when Abatacept is combined with Monomethyl fumarate. Adalimumab The risk or severity of adverse effects can be increased when Adalimumab is combined with Monomethyl fumarate. Adenovirus type 7 vaccine live The risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Monomethyl fumarate. Aldesleukin The risk or severity of adverse effects can be increased when Aldesleukin is combined with Monomethyl fumarate. Alefacept The risk or severity of adverse effects can be increased when Alefacept is combined with Monomethyl fumarate. - Food Interactions
- Not Available
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Bafiertam Capsule 95 mg/1 Oral Banner Life Sciences LLC 2020-04-28 Not applicable US 
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Fatty Acyls
- Sub Class
- Fatty acid esters
- Direct Parent
- Fatty acid esters
- Alternative Parents
- Unsaturated fatty acids / Dicarboxylic acids and derivatives / Methyl esters / Enoate esters / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Carboxylic acid ester / Dicarboxylic acid or derivatives / Enoate ester / Fatty acid ester / Hydrocarbon derivative
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 45IUB1PX8R
- CAS number
- 2756-87-8
- InChI Key
- NKHAVTQWNUWKEO-NSCUHMNNSA-N
- InChI
- InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
- IUPAC Name
- (2E)-4-methoxy-4-oxobut-2-enoic acid
- SMILES
- COC(=O)\C=C\C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 4520322
- BindingDB
- 50342426
- 1546433
- ChEMBL
- CHEMBL589586
- ZINC
- ZINC000004416885
- PDBe Ligand
- UR9
- PDB Entries
- 8jhn
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Recruiting Treatment Relapsing Remitting Multiple Sclerosis (RRMS) 1 1 Completed Treatment Multiple Sclerosis 1 1 Completed Treatment Relapsing Remitting Multiple Sclerosis (RRMS) 2 Not Available Enrolling by Invitation Not Available Relapsing Remitting Multiple Sclerosis (RRMS) 1 Not Available Withdrawn Not Available Relapsing Remitting Multiple Sclerosis (RRMS) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule Oral 95 mg/1 - Prices
- Not Available
- Patents
Patent Number Pediatric Extension Approved Expires (estimated) Region US9511043 No 2016-12-06 2035-02-27 US US9326965 No 2016-05-03 2035-02-27 US US9814692 No 2017-11-14 2035-02-27 US US9636318 No 2017-05-02 2035-02-27 US US9814691 No 2017-11-14 2035-02-27 US US10105336 No 2018-10-23 2035-02-27 US US9820961 No 2017-11-21 2035-02-27 US US10098863 No 2018-10-16 2035-02-27 US US9566259 No 2017-02-14 2035-02-27 US US9636319 No 2017-05-02 2035-02-27 US US10105337 No 2018-10-23 2035-02-27 US US9326947 No 2016-05-03 2035-02-27 US US9820960 No 2017-11-21 2035-02-27 US US9517209 No 2016-12-13 2035-02-27 US US10105335 No 2018-10-23 2035-02-27 US US10918615 No 2021-02-16 2035-08-12 US US10918616 No 2021-02-16 2035-06-03 US US10918617 No 2021-02-16 2035-08-10 US US10945985 No 2021-03-16 2035-08-14 US US11590095 No 2016-03-18 2036-03-18 US US11903918 No 2015-02-27 2035-02-27 US
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 40.1 mg/mL ALOGPS logP 0.39 ALOGPS logP 0.34 Chemaxon logS -0.51 ALOGPS pKa (Strongest Acidic) 3.12 Chemaxon pKa (Strongest Basic) -6.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 63.6 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 29.38 m3·mol-1 Chemaxon Polarizability 11.61 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-0019-9100000000-a96309b88e424aa7dce3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0f6t-9000000000-3be79d5dd4b8771bb060 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9000000000-603f7c618211b0019113 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-9000000000-55a3bc17ec966122e974 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0zfr-9000000000-abdbd3dc1aec18d2c34d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0ldi-9000000000-97727b20a578f24e3a64 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 128.1040461 predictedDarkChem Lite v0.1.0 [M+H]+ 128.0467461 predictedDarkChem Lite v0.1.0 [M+Na]+ 128.1958461 predictedDarkChem Lite v0.1.0
Drug created at July 04, 2018 21:10 / Updated at February 21, 2021 18:54