7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
Basic information
- CAS
137346-42-0- Standard SMILES
CCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2cc([N+](=O)[O-])ccc21- InChIKey
BGABGXIVKDUNFQ-UHFFFAOYSA-N- Molecular formula
- C25H26N4O4
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19540532
Overview
CAY10625 is a member of quinolines and a nitro compound.
Names & identifiers
- Preferred name
- 7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
- IUPAC
- 7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
- English name
- CAY10625
- Molecular formula
- C25H26N4O4
- Molecular weight
- 446.5
Names & synonyms
137346-42-0CAY10625Antitumor agent-1447-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione7-Nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dioneC25H26N4O4CHEMBL67779orb2566974SCHEMBL23272668DTXSID30658255CHEBI:188300
Show more names
Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 7-nitro-10-octyl-3-phenyl-
MFCD18382127HY-117708CS-0066897T857057-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4-dione
Database identifiers
- CAS
137346-42-0- PubChem CID
- 44306972
- DTXSID
DTXSID30658255- ChEMBL
CHEMBL67779- ChEBI
CHEBI:188300
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 812
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 0.5 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
DescriptionSurvivin is a cellular protein implicated in cell survival by interacting with and inhibiting the apoptotic function of several proteins including Smac/DIABLO, caspase-3, and caspase-7.1,2 Survivin also plays a role in the regulation of the cell cycle as part of a protein complex that includes INCENP, Aurora B kinase, and Borealin. CAY10625 is an antagonist of the interaction between survivin and the apoptosis-promoting protein Smac/DIABLO, exhibiting an IC50 value of 2.2 μM.3 It inhibits the interaction of survivin with INCENP less effectively with an IC50 value of 20 μM. CAY10625 is cell-permeable and sensitizes cells to the induction of apoptosis by doxorubicin.3
UsesAntitumor agent-144 (16) is an antitumor agent, with IC50 values of 2.6 μM and 8.4 μM in L1210 and KB cells, respectively[1].
Additional notes
DefinitionChEBI: CAY10625 is a nitro compound and a member of quinolines.
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