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72835-26-8

72835-26-8 Structure

72835-26-8 Structure
IdentificationBack Directory
[Name]

MIRA-1
[CAS]

72835-26-8
[Synonyms]

MIRA-1
NSC 19630
p53 Activator VIII
WRN Helicase Inhibitor
1-[(1-Oxopropoxy)methyl]-1H-pyrrole-2
5-dihydro-1H-pyrrol-1-yl)methyl propionate
Ethyl 2,5-Dioxo-2,5-dihydropyrrole-1-acetate
1-[(1-Oxopropoxy)methyl]-1H-pyrrole-2,5-dione
1H-Pyrrole-2,5-dione, 1-[(1-oxopropoxy)methyl]-
[Molecular Formula]

C8H9NO4
[MDL Number]

MFCD12828765
[MOL File]

72835-26-8.mol
[Molecular Weight]

183.16
Chemical PropertiesBack Directory
[Melting point ]

44 °C
[Boiling point ]

298.2±23.0 °C(Predicted)
[density ]

1.307±0.06 g/cm3(Predicted)
[storage temp. ]

Store at +4°C
[solubility ]

Soluble to 100 mM in DMSO and to 100 mM in ethanol
[form ]

Powder
[pka]

-2.79±0.20(Predicted)
[color ]

White to light yellow
[InChI]

1S/C8H9NO4/c1-2-8(12)13-5-9-6(10)3-4-7(9)11/h3-4H,2,5H2,1H3
[InChIKey]

YXEWPGYLMHXLPS-UHFFFAOYSA-N
[SMILES]

N1(C(=O)C=CC1=O)COC(=O)CC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

WGK 2
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

The tumor suppressor gene, p53, is often mutated in most human cancers. MIRA-1 is a maleimide-derived molecule that can reactivate the mutant p53 leading to apoptosis in human tumor cells. In addition, the MIRA scaffold is an attractive lead for developing anticancer drugs that target mutant p53.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

MIRA-1(72835-26-8)1HNMR
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