CAS 2756-87-8|4-methoxy-4-oxobut-2-enoic acid|4-methoxy-4-oxobut-2-enoic acid|(2E)-4-Methoxy-4-oxobut-2-enoic acid|mono-Methyl fumarate|(2E)-4-methoxy-4-oxobut-2-enoic acid|mono-Methyl fumarate|富马...

General Information

Structure

Molecular Formula

C₅H₆O₄

Molecular Mass

130.09874

Exact Mass

130.02660867

Charge

InChI

InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)

InChIKey

NKHAVTQWNUWKEO-UHFFFAOYSA-N

Canonic Smiles

COC(=O)/C=C/C(=O)O

Isomeric Smiles

OC(=O)/C=C/C(=O)OC

Calculated Properties

JChem

Acid pKa

3.3100967

H Acceptors

H Donor

LogD (pH = 5.5)

-1.834956

LogD (pH = 7.4)

-3.0856297

Log P

0.33831304

Molar Refractivity

29.3761

Polarizability

11.140744

Polar Surface Area

63.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-methoxy-4-oxobut-2-enoic acid (2E)-4-methoxy-4-oxobut-2-enoic acid

IUPAC name

4-methoxy-4-oxobut-2-enoic acid (2E)-4-methoxy-4-oxobut-2-enoic acid

Synonyms

(2E)-4-Methoxy-4-oxobut-2-enoic acidmono-Methyl fumaratemono-Methyl fumarate富马酸单甲基酯富马酸单甲酯反丁烯二酸一甲酯4-Methoxy-4-oxobut-2-enoic acid(2E)-2-Butenedioic Acid 1-Methyl EsterMonomethyl Fumarate(E)-2-Butenedioic Acid Monomethyl EsterFumaric Acid Monomethyl EsterMethyl Hydrogen FumarateFumaric Acid Methyl Ester

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

MDL Number

PubChem CID

Registration numbers

Properties

Physical Property

Melting Point

143-147°C

144-145 °C(lit.)

Product Information

97%

95+%

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

651419

包装
1, 10 g in glass bottle

TRC

F500390

Fumaric Acid Monomethyl Ester is one of the most bioactive anti-psoriatic fumaric acid ester metabolite. Fumaric Acid Monomethyl Ester is potent nicotinic acid receptor agonist. Fumaric Acid Monomethyl Ester has also been shown to selectively stimulate of

Molecule Details

References

PubChem Literature

From Data Sources

• Tang, H. et al.: Biochem. Biophys. Res. Comm., 375, 562 (2008)

• Litjens, N.H.R. et al.: Br. J. Dermatol., 154, 211 (2008)

• de Jong, R. et al.: Eur. J. Immunol., 26, 2067 (2008)

References

Bioactivity

PubChem BioAssay

Bioactivity