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DMF (Dimethyl Fumarate)

CAT: 1568-C08695-1gSize: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C08695-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
624-49-7
Synonyms
BG-12
Target
Nrf2
Applications
NF-κB
Smiles
COC (=O) C=CC (=O) OC
Molecular Formula
C6H8O4
Additionnal Information
DMF (Dimethyl Fumarate) is the methyl ester of fumaric acid, used to treat people with relapsing forms of multiple sclerosis. Dimethyl fumarate is a nuclear factor (erythroid-derived) -like 2 (Nrf2) pathway activator and induces upregulation of antioxidant gene expression.
Storage Conditions
2 years -80 in solvent

Chemical Information

Dimethyl Fumarate

Dimethyl fumarate is an enoate ester resulting from the formal condensation of both carboxy groups of fumaric acid with methanol. Used for treatment of adults with relapsing forms of multiple sclerosis. It has a role as an antipsoriatic and an immunomodulator. It is a methyl ester, a diester and an enoate ester. It is functionally related to a methanol and a fumaric acid.

CAS Number624-49-7
PubChem CID637568
IUPAC Namedimethyl (E)-but-2-enedioate
Molecular FormulaC6H8O4
Molecular Weight144.12
XLogP0.7
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity141
SMILES
COC(=O)/C=C/C(=O)OC
InChI
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey
LDCRTTXIJACKKU-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl Fumarate
CAS: 624-49-7
CID: 637568
Formula: C6H8O4
MW: 144.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.12
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass144.04225873
Monoisotopic Mass144.04225873
Topological Polar Surface Area52.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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