1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione
Basic information
- CAS
216774-38-8- Standard SMILES
O=C1C=CC(=O)N1c1ccc(N2CCOCC2)cc1- InChIKey
NNBAXWAPIROUSM-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione
- IUPAC
- 1-(4-morpholin-4-ylphenyl)pyrrole-2,5-dione
- English name
- 1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione
- Molecular formula
- C14H14N2O3
- Molecular weight
- 258.27
Names & synonyms
216774-38-8AHU11-(4-morpholin-4-ylphenyl)pyrrole-2,5-dione1-(4-morpholinophenyl)-1H-pyrrole-2,5-dioneN-(4-Morpholinophenyl)maleimide1H-Pyrrole-2,5-dione,1-[4-(4-morpholinyl)phenyl]-1-[4-(4-MORPHOLINYL)PHENYL]-1H-PYRROLE-2,5-DIONE1-(4-Morpholin-4-yl-phenyl)-pyrrole-2,5-dioneCyto9A2F0125-2080orb1701239SCHEMBL3436867
Show more names
AHU-1,AHU1AKOS MSC-00761H-Pyrrole-2,5-dione, 1-[4-(4-morpholinyl)phenyl]-
DTXSID50351392HMS1704N02CCG-50519AKOS000531932SDCCGMLS-0065443.P001DB-066596CS-0064239ST50240186
Database identifiers
- CAS
216774-38-8- PubChem CID
- 699272
- DTXSID
DTXSID50351392- Nikkaji
- J1.844.006G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Boiling point
- 470.1 · 470.1±40.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 3.89 · 3.89±0.40(Predicted)
Chemistry & industry
Applications
UsesAHU1 is a compound that inhibits the expression of Shiga toxin type 2 in Escherichia coli O157:H7, demonstrating a dose-dependent reduction in toxin activity by interfering with the SOS response through its effects on RecA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…