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1577222-14-0

1577222-14-0 Structure

1577222-14-0 Structure
IdentificationBack Directory
[Name]

4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
[CAS]

1577222-14-0
[Synonyms]

ALKS-8700
diroximel fumarate
Diroximel Fumarete
Diroximel Fumarete(ALKS-8700)
5-dioxopyrrolidin-1-yl)ethyl methyl fumarate
2-(2,5-Dioxopyrrolidin-1-yl)ethyl methyl fumarate
2-(2,5-Dioxopyrrolidin-1-Yl)Ethyl Methyl Fumarate(WXC04774)
4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
(2E)-2-Butenedioic acid 1-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl] 4-methyl ester
(E)-but-2-enedioic acid 2-(2,5-dioxo-pyrrolidin-1-yl)ethyl ester methyl ester
2-Butenedioic acid (2E)-, 1-[2-(2,5-dioxo-1-pyrrolidinyl)ethyl] 4-methyl ester
DIROXIMEL FUMARATE; ALKS8700; ALKS 8700; ALKS-8700;2-(2;5-DIOXOPYRROLIDIN-1-YL)ETHYL METHYL FUMARATE
[Molecular Formula]

C11H13NO6
[MDL Number]

MFCD28502263
[MOL File]

1577222-14-0.mol
[Molecular Weight]

255.22
Chemical PropertiesBack Directory
[Melting point ]

96 - 99°C
[Boiling point ]

441.0±25.0 °C(Predicted)
[density ]

1.319±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

Solid
[pka]

-1.60±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C11H13NO6/c1-17-10(15)4-5-11(16)18-7-6-12-8(13)2-3-9(12)14/h4-5H,2-3,6-7H2,1H3/b5-4+
[InChIKey]

YIMYDTCOUQIDMT-SNAWJCMRSA-N
[SMILES]

C(OCCN1C(=O)CCC1=O)(=O)/C=C/C(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Description]

Diroximel fumarate is a prodrug form of monomethyl fumarate (Item No. 27813). It undergoes esterase cleavage in the gut to release monomethyl fumarate. Formulations containing diroximel fumarate have been used in the treatment of relapsing-remitting multiple sclerosis.
[Uses]

Diroximel Fumarate is a novel oral fumarate in development for the treatment of patients with relapsing forms of multiple sclerosis.
[in vivo]

Diroximel fumarate (60-100 mg/kg , p.o., daily, 5 days) prevents MGO-induced mechanical and cold hypersensitivity in male and female wild-type C57BL/6 mice[2].

[storage]

Store at -20°C
[References]

[1] R. NAISMITH. Diroximel fumarate (DRF) in patients with relapsing–remitting multiple sclerosis: Interim safety and efficacy results from the phase 3 EVOLVE-MS-1 study[J]. Multiple Sclerosis Journal, 2019, 115 1: 1729-1739. DOI: 10.1177/1352458519881761
Spectrum DetailBack Directory
[Spectrum Detail]

4-O-[2-(2,5-dioxopyrrolidin-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate(1577222-14-0)1HNMR
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