Monomethyl fumarate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Monomethyl fumarate
Accession Number
DB14219
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • Fumaric acid monomethyl ester
  • Methyl hydrogen fumarate
  • MMF
Categories
UNII
45IUB1PX8R
CAS number
2756-87-8
Weight
Average: 130.099
Monoisotopic: 130.026608673
Chemical Formula
C5H6O4
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

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
2-MethoxyethanolThe risk or severity of adverse effects can be increased when 2-Methoxyethanol is combined with Monomethyl fumarate.
9-(N-methyl-L-isoleucine)-cyclosporin AThe risk or severity of adverse effects can be increased when 9-(N-methyl-L-isoleucine)-cyclosporin A is combined with Monomethyl fumarate.
AbataceptThe risk or severity of adverse effects can be increased when Abatacept is combined with Monomethyl fumarate.
AbetimusThe risk or severity of adverse effects can be increased when Abetimus is combined with Monomethyl fumarate.
ActeosideThe risk or severity of adverse effects can be increased when Acteoside is combined with Monomethyl fumarate.
AdalimumabThe risk or severity of adverse effects can be increased when Adalimumab is combined with Monomethyl fumarate.
Adenovirus type 7 vaccine liveThe risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Monomethyl fumarate.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Monomethyl fumarate.
AfelimomabThe risk or severity of adverse effects can be increased when Afelimomab is combined with Monomethyl fumarate.
AldesleukinThe risk or severity of adverse effects can be increased when Aldesleukin is combined with Monomethyl fumarate.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4520322
BindingDB
50342426
ChEMBL
CHEMBL589586

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Participants1
1CompletedTreatmentLeukemias / Lymphoma, Hodgkins / Multiple Myeloma (MM) / Myelodysplastic Syndromes (MDS) / Non Hodgkin Lymphoma (NHL)1
1, 2CompletedBasic ScienceTransplantation, Kidney1
1, 2Not Yet RecruitingTreatmentAcute Lymphoblastic Leukemia in Remission / Acute myeloid leukaemia (in remission) / Chronic Myelomonocytic Leukemia / Myeloproliferative Neoplasm, Unclassifiable1
1, 2RecruitingTreatmentMalignancies, Hematologic1
1, 2TerminatedTreatmentGraft Versus Host Disease (GVHD) / Lupus Erythematosus1
2CompletedTreatmentSickle Cell Disorders1
2RecruitingTreatmentAcute Lymphocytic Leukemia (ALL) / Biphenotypic/Undifferentiated Leukemia / Burkitt's Lymphoma / Chronic Chronic myelogenous leukemia / Leukemia Acute Myeloid Leukemia (AML) / Lymphoma, Hodgkins / Lymphoplasmacytic Lymphoma / Mantle Cell Lymphoma (MCL) / Myelodysplasia / Recurrent Cutaneous T-cell lymphoma / Relapsed Large Cell Lymphoma1
2RecruitingTreatmentCardiac Transplant1
2RecruitingTreatmentChronic Lymphocytic Leukaemia (CLL) / Chronic Myelomonocytic Leukemia / Leukemia Acute Myeloid Leukemia (AML) / Lymphoma, B-Cell / Lymphoma, Hodgkins / Myelodysplastic Syndromes / Myeloproliferative Disorders / Non Hodgkin Lymphoma (NHL) / T-Cell Lymphomas1
2RecruitingTreatmentGout Chronic1
2RecruitingTreatmentSclerosis, Progressive Systemic1
2TerminatedTreatmentChronic Lymphocytic Leukaemia (CLL) / Lymphoma, B-Cell / Malignant Lymphomas / Non Hodgkin Lymphoma (NHL)1
2TerminatedTreatmentLeukemias / Malignant Lymphomas / Myelodysplastic Syndrome1
2TerminatedTreatmentTransplantation, Kidney1
4Not Yet RecruitingTreatmentImmunosuppression / Transplantation, Kidney1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility40.1 mg/mLALOGPS
logP0.39ALOGPS
logP0.34ChemAxon
logS-0.51ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
pKa (Strongest Basic)-6.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area63.6 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity29.38 m3·mol-1ChemAxon
Polarizability11.61 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on July 04, 2018 15:10 / Updated on November 02, 2018 07:52